From 5dbd8e8d7d8d9eb486ce0207640abb899c9e5d2a Mon Sep 17 00:00:00 2001
From: Sashi20
Date: Tue, 16 Jul 2024 00:20:14 +0550
Subject: Added(A)/Deleted(D) following Flowsheet file A
Engineering_Maleic_Anhydride_Through_The_Oxidative_Metamorphosis_Of_Benzene_By_Mr_Mukund_Kumar/user_defined_compound/COMPOUND_CID_3026.json
---
.../user_defined_compound/COMPOUND_CID_3026.json | 30979 +++++++++++++++++++
1 file changed, 30979 insertions(+)
create mode 100644 Engineering_Maleic_Anhydride_Through_The_Oxidative_Metamorphosis_Of_Benzene_By_Mr_Mukund_Kumar/user_defined_compound/COMPOUND_CID_3026.json
diff --git a/Engineering_Maleic_Anhydride_Through_The_Oxidative_Metamorphosis_Of_Benzene_By_Mr_Mukund_Kumar/user_defined_compound/COMPOUND_CID_3026.json b/Engineering_Maleic_Anhydride_Through_The_Oxidative_Metamorphosis_Of_Benzene_By_Mr_Mukund_Kumar/user_defined_compound/COMPOUND_CID_3026.json
new file mode 100644
index 0000000..b4d4815
--- /dev/null
+++ b/Engineering_Maleic_Anhydride_Through_The_Oxidative_Metamorphosis_Of_Benzene_By_Mr_Mukund_Kumar/user_defined_compound/COMPOUND_CID_3026.json
@@ -0,0 +1,30979 @@
+{
+ "Record": {
+ "RecordType": "CID",
+ "RecordNumber": 3026,
+ "RecordTitle": "Dibutyl Phthalate",
+ "Section": [
+ {
+ "TOCHeading": "Structures",
+ "Description": "Structure depictions of this compound, including computationally generated two-dimensional (2D) and three-dimensional (3D) structures, as well as experimentally determined 3D single-crystal structures.",
+ "Section": [
+ {
+ "TOCHeading": "2D Structure",
+ "Description": "A two-dimensional (2D) structure representation of the compound. Because this structure is processed through chemical structure standardization (Hähnke et al., J. Cheminform. 2018, 10, 36), it is not necessarily the same as the structures provided by individual data contributors. ",
+ "URL": "https://doi.org/10.1186/s13321-018-0293-8",
+ "DisplayControls": {
+ "MoveToTop": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "Boolean": [
+ true
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "3D Conformer",
+ "Description": "A three-dimensional (3D) structure representation of the compound. This 3D structure is not experimentally determined, but computed by PubChem. This structure may or may not be the same as the inherent structure of the compound you would expect to see in vacuum or in the gas phase, because the underlying computational algorithm aims to generate a protein-bound structure, which would be observed in a protein-ligand complex. More detailed information on this conformer model can be found in Kim et al., J. Cheminform. 2013, 5, 1.",
+ "URL": "https://doi.org/10.1186/1758-2946-5-1",
+ "DisplayControls": {
+ "MoveToTop": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Description": "Dibutyl Phthalate",
+ "Value": {
+ "Number": [
+ 3026
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical Safety",
+ "Description": "Link to the Safety and Hazard section of this page and link to the Laboratory Chemical Safety Summary (LCSS) datasheet for this compound.",
+ "DisplayControls": {
+ "HideThisSection": true,
+ "MoveToTop": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Name": "Chemical Safety",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS08.svg",
+ "Type": "Icon",
+ "Extra": "Health Hazard"
+ },
+ {
+ "Start": 1,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS09.svg",
+ "Type": "Icon",
+ "Extra": "Environmental Hazard"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Names and Identifiers",
+ "Description": "Chemical names, synonyms, identifiers, and descriptors.",
+ "Section": [
+ {
+ "TOCHeading": "Record Description",
+ "Description": "Summary Information",
+ "DisplayControls": {
+ "HideThisSection": true,
+ "MoveToTop": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 1,
+ "Description": "Hazards Summary",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Di-n-phtalate is a manufactured chemical that does not occur naturally. It is an odorless and oily liquid that is colorless to faint yellow in color. It is slightly soluble in water and does not evaporate easily. Di-n-phtalate is used to make plastics more flexible and is also in carpet backings, paints, glue, insect repellents, hair spray, nail polish, and rocket fuel.",
+ "Markup": [
+ {
+ "Start": 176,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 4,
+ "Description": "Physical Description",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "N-butyl phthalate is a colorless oily liquid. It is insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since it is a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams. It is combustible though it may take some effort to ignite. It is used in paints and plastics and as a reaction media for chemical reactions.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/N-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 65,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 7,
+ "Name": "Record Description",
+ "Description": "Ontology Summary",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate is a phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. It has a role as an environmental contaminant, a teratogenic agent, a plasticiser, a metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a phthalate ester and a diester. It is functionally related to a butan-1-ol.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 120,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalic%20acid",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-1017"
+ },
+ {
+ "Start": 156,
+ "Length": 10,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/butan-1-ol",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-20532113"
+ },
+ {
+ "Start": 503,
+ "Length": 10,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/butan-1-ol",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-20532113"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 17,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate is used in making flexible plastics that are found in a variety of consumer products. It appears to have relatively low acute (short-term) and chronic (long-term) toxicity. No information is available regarding the effects in humans from inhalation or oral exposure to dibutyl phthalate, and only minimal effects have been noted in animals exposed by inhalation. No studies are available on the reproductive, developmental, or carcinogenic effects of dibutyl phthalate in humans. Animal studies have reported developmental and reproductive effects from oral exposure. EPA has classified dibutyl phthalate as a Group D, not classifiable as to human carcinogenicity.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 287,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 469,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 605,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 52,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate is a natural product found in Rhododendron dauricum, Gymnodinium nagasakiense, and other organisms with data available.",
+ "Markup": [
+ {
+ "Start": 48,
+ "Length": 21,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/taxonomy/880079#section=Natural-Products"
+ },
+ {
+ "Start": 71,
+ "Length": 24,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/taxonomy/671128#section=Natural-Products"
+ },
+ {
+ "Start": 101,
+ "Length": 15,
+ "URL": "#section=Taxonomy"
+ },
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 144,
+ "Name": "Record Description",
+ "Description": "Ontology Summary",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Di-n-butyl Phthalate (DBP) can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to The National Toxicology Program's Center for the Evaluation of Risks to Human Reproduction.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Di-n-butyl%20Phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 149,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate is found in cloves. DBP was added to the California Proposition 65 (1986) list of suspected teratogens in November 2006. It is a suspected endocrine disruptor. It was used in some nail polishes; all major producers began eliminating this chemical from nail polishes in the Fall of 2006. Dibutyl phthalate (DBP) is a commonly used plasticizer. It is also used as an additive to adhesives or printing inks. It is soluble in various organic solvents, e.g. in alcohol, ether and benzene. DBP is also used as an ectoparasiticide.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 305,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 493,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/benzene",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-241"
+ },
+ {
+ "Start": 525,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ectoparasiticide",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5702296"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 157,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Computed Descriptors",
+ "Description": "Structural descriptors generated or computed for the structures of this compound, including the IUPAC name, InChI/InChIKey, and canonical/isomeric SMILES.",
+ "Section": [
+ {
+ "TOCHeading": "IUPAC Name",
+ "Description": "Chemical name of this compound, computed from its structure based on the International Union of Pure and Applied Chemistry (IUPAC) nomenclature standards.",
+ "URL": "https://iupac.org/what-we-do/nomenclature/",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "dibutyl benzene-1,2-dicarboxylate"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "InChI",
+ "Description": "The International Chemical Identifier (InChI) is a computed, non-proprietary identifier for a chemical structure. The InChI is an International Union of Pure and Applied Chemistry (IUPAC) standard.",
+ "URL": "https://iupac.org/who-we-are/divisions/division-details/inchi/",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by InChI 1.0.6 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "InChIKey",
+ "Description": "An InChIKey is a 27-character hash code derived from an InChI. The International Chemical Identifier (InChI) is a computed, non-proprietary identifier for a chemical structure. The InChI is an International Union of Pure and Applied Chemistry (IUPAC) standard. ",
+ "URL": "https://iupac.org/who-we-are/divisions/division-details/inchi/",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by InChI 1.0.6 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "DOIRQSBPFJWKBE-UHFFFAOYSA-N"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Canonical SMILES",
+ "Description": "The Simplified Molecular-Input Line-Entry System (SMILES) is a widely-used line notation for chemical structures. PubChem computes two kinds of SMILES strings for compounds: canonical SMILES (computed from chemical structures devoid of isotopic and stereochemical information), and isomeric SMILES (computed from chemical structures containing isotopic and stereochemical information). This section shows the canonical SMILES of the compound.",
+ "URL": "https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by OEChem 2.3.0 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Molecular Formula",
+ "Description": "A chemical formula is a way of expressing information about the proportions of atoms that constitute a particular chemical compound, using a single line of chemical element symbols and numbers. PubChem uses the Hill system, whereby the number of carbon atoms in a molecule is indicated first, the number of hydrogen atoms second, and then the number of all other chemical elements in alphabetical order. When the formula contains no carbon, all the elements, including hydrogen, are listed alphabetically. Sources other than PubChem may include a variant of the formula that is more structural or natural to chemists, for example, H2SO4 for sulfuric acid, rather than the Hill version H2O4S.",
+ "URL": "https://pubs.acs.org/doi/abs/10.1021/ja02046a005",
+ "DisplayControls": {
+ "MoveToTop": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 3,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "C16H22O4"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "C16H22O4"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "C16H22O4",
+ "Markup": [
+ {
+ "Start": 1,
+ "Length": 1,
+ "Type": "Subscript"
+ },
+ {
+ "Start": 2,
+ "Length": 1,
+ "Type": "Subscript"
+ },
+ {
+ "Start": 4,
+ "Length": 1,
+ "Type": "Subscript"
+ },
+ {
+ "Start": 5,
+ "Length": 1,
+ "Type": "Subscript"
+ },
+ {
+ "Start": 7,
+ "Length": 1,
+ "Type": "Subscript"
+ }
+ ]
+ },
+ {
+ "String": "C6H4(COOC4H9)2",
+ "Markup": [
+ {
+ "Start": 1,
+ "Length": 1,
+ "Type": "Subscript"
+ },
+ {
+ "Start": 3,
+ "Length": 1,
+ "Type": "Subscript"
+ },
+ {
+ "Start": 9,
+ "Length": 1,
+ "Type": "Subscript"
+ },
+ {
+ "Start": 11,
+ "Length": 1,
+ "Type": "Subscript"
+ },
+ {
+ "Start": 13,
+ "Length": 1,
+ "Type": "Subscript"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem 2.2 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "C16H22O4"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Other Identifiers",
+ "Description": "Other identifiers assigned to this chemical.",
+ "Section": [
+ {
+ "TOCHeading": "CAS",
+ "Description": "A CAS Registry Number (also called CAS RN or CAS Number) is a proprietary registry number assigned by the Chemical Abstracts Service (CAS) division of the American Chemical Society (ACS). It is a numeric identifier that can contain up to 10 digits, divided by hyphens into three parts.",
+ "URL": "https://www.cas.org/support/documentation/chemical-substances/faqs",
+ "Information": [
+ {
+ "ReferenceNumber": 2,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 5,
+ "URL": "https://commonchemistry.cas.org/detail?cas_rn=84-74-2",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 9,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 14,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 15,
+ "Name": "CAS",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 16,
+ "Name": "CAS",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 19,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 20,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 21,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 22,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 26,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 27,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 32,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 104,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 146,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "84-74-2"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "European Community (EC) Number",
+ "Description": "The European Community (EC) number is a seven-digit identifier assigned by the European Chemicals Agency (ECHA) to substances for regulatory purposes within the European Union. EC numbers are sometimes referred to as EINECS, ELINCS, or NLP numbers, because the EC Inventory comprises three individual inventories (EINECS, ELINCS, and the NLP list).",
+ "URL": "https://echa.europa.eu/information-on-chemicals/ec-inventory",
+ "Information": [
+ {
+ "ReferenceNumber": 26,
+ "URL": "https://chem.echa.europa.eu/100.001.416",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "201-557-4"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "UNII",
+ "Description": "UNique Ingredient Identifier (UNII) code for this chemical. It is a non-proprietary registry number assigned by the U.S. Food and Drug Administration (FDA).",
+ "URL": "https://www.fda.gov/industry/fda-data-standards-advisory-board/fdas-global-substance-registration-system",
+ "Information": [
+ {
+ "ReferenceNumber": 27,
+ "URL": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2286E5R2KE",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2286E5R2KE"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "UN Number",
+ "Description": "United Nations numbers (UN numbers) are four-digit numbers assigned by the United Nations Committee of Experts on the Transport of Dangerous Goods. They are used in international commerce and transportation to identify hazardous materials and articles (such as explosives, flammable liquids, oxidizers, toxic liquids, etc.). With a few exceptions, UN numbers are usually identical to DOT (Department of Transportation) IDs [also known as NA (North America) numbers], which are issued by the United States Department of Transportation. Therefore, UN numbers are also called DOT IDs and NA numbers.",
+ "URL": "https://www.phmsa.dot.gov/hazmat/erg/emergency-response-guidebook-erg",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/erg/#3082",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "3082 (N-BUTYL PHTHALATE)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/erg/#3082",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "3082"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 118,
+ "Name": "UN Number",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/erg/#3082",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "3082"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "ChEBI ID",
+ "Description": "Identifier from database and ontology of molecular entities focused on 'small' chemical compounds used by the Chemical Entities of Biological Interest (ChEBI)",
+ "URL": "https://www.ebi.ac.uk/chebi/",
+ "Information": [
+ {
+ "ReferenceNumber": 7,
+ "URL": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34687",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CHEBI:34687"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "ChEMBL ID",
+ "Description": "ChEMBL compound identifier",
+ "URL": "https://www.ebi.ac.uk/chembl/",
+ "Information": [
+ {
+ "ReferenceNumber": 8,
+ "URL": "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL272485/",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CHEMBL272485"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "DrugBank ID",
+ "Description": "Drug identifier used by the DrugBank database",
+ "URL": "https://go.drugbank.com/",
+ "Information": [
+ {
+ "ReferenceNumber": 14,
+ "URL": "https://www.drugbank.ca/drugs/DB13716",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "DB13716"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "DSSTox Substance ID",
+ "Description": "Substance identifier used in the Distributed Structure-Searchable Toxicity (DSSTox) Database.",
+ "URL": "https://www.epa.gov/chemical-research/distributed-structure-searchable-toxicity-dsstox-database",
+ "Information": [
+ {
+ "ReferenceNumber": 21,
+ "URL": "https://comptox.epa.gov/dashboard/DTXSID2021781",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "DTXSID2021781"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "HMDB ID",
+ "Description": "A chemical substance identifier from the HMDB database",
+ "URL": "https://hmdb.ca/",
+ "Information": [
+ {
+ "ReferenceNumber": 32,
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HMDB0033244"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "ICSC Number",
+ "Description": "A numeric identifier for this compound, used in the International Labour Organization's (ILO's) International Chemical Safety Cards (ICSC).",
+ "URL": "https://www.ilo.org/safework/info/publications/WCMS_113134/lang--en/index.htm",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "URL": "https://www.ilo.org/dyn/icsc/showcard.display?p_card_id=0036",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0036"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "KEGG ID",
+ "Description": "KEGG compound/drug identifier",
+ "URL": "https://www.kegg.jp/",
+ "Information": [
+ {
+ "ReferenceNumber": 50,
+ "URL": "https://www.kegg.jp/entry/C14214",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "C14214"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Metabolomics Workbench ID",
+ "Description": "Registration number used by Metabolomics Workbench",
+ "URL": "https://www.metabolomicsworkbench.org/",
+ "Information": [
+ {
+ "ReferenceNumber": 101,
+ "URL": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45953",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "45953"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "NCI Thesaurus Code",
+ "Description": "Stable, unique code for biomedical concept",
+ "URL": "https://ncithesaurus.nci.nih.gov",
+ "Information": [
+ {
+ "ReferenceNumber": 103,
+ "URL": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76745",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "C76745"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Nikkaji Number",
+ "Description": "Substance identifier used in the Japan Chemical Substance Dictionary (Nikkaji).",
+ "URL": "https://jglobal.jst.go.jp/en/",
+ "Information": [
+ {
+ "ReferenceNumber": 49,
+ "URL": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.882B",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "J3.882B"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "NSC Number",
+ "Description": "The National Service Center (NSC) number is a numeric identifier for substances submitted to the National Cancer Institute (NCI) for testing and evaluation. It is a registration number for the Developmental Therapeutics Program (DTP) repository.",
+ "URL": "https://dtp.cancer.gov/organization/dscb/compoundSubmission/faqs.htm",
+ "DisplayControls": {
+ "ShowAtMost": 3
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 15,
+ "Name": "NSC Number",
+ "URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755894",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "755894"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 16,
+ "Name": "NSC Number",
+ "URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6370",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "6370"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Pharos Ligand ID",
+ "Description": "Ligand identifier used by Pharos",
+ "URL": "https://pharos.nih.gov/",
+ "Information": [
+ {
+ "ReferenceNumber": 121,
+ "URL": "https://pharos.nih.gov/ligands/M1L7MKCTM99C",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "M1L7MKCTM99C"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "RTECS Number",
+ "Description": "An identifier used in the Registry of Toxic Effects of Chemical Substances (RTECS), which contains chemical toxicity data extracted from scientific literature.",
+ "URL": "https://www.cdc.gov/niosh/rtecs/default.html",
+ "Information": [
+ {
+ "ReferenceNumber": 146,
+ "URL": "https://www.cdc.gov/niosh-rtecs/TID59F8.html",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "TI0875000"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Wikidata",
+ "Description": "Wikidata entity identifier for the given compound.",
+ "URL": "https://www.wikidata.org/w/index.php?title=Special:WhatLinksHere/Property:P662",
+ "Information": [
+ {
+ "ReferenceNumber": 152,
+ "URL": "https://www.wikidata.org/wiki/Q415612",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q415612"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Wikipedia",
+ "Description": "Wikidata entity identifier for this compound.",
+ "Information": [
+ {
+ "ReferenceNumber": 153,
+ "URL": "https://en.wikipedia.org/wiki/Dibutyl_phthalate",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl_phthalate"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 154,
+ "URL": "https://en.wikipedia.org/wiki/Dihydralazine",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dihydralazine"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 155,
+ "URL": "https://en.wikipedia.org/wiki/Dibutyl_phthalate",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl_phthalate"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Synonyms",
+ "Description": "Alternative names for this PubChem Compound record. A compound can have many different names. For example, acetone (CH3C(=O)CH3) is also known as propanone, propan-2-one, or dimethyl ketone. The brand name of a product is commonly used to indicate the primary chemical ingredient(s) in the product (e.g., Tylenol, a common pain killer, is often used for acetaminophen, its active ingredient). Another example of common synonyms is record identifiers used in different data collections, such as Chemical Abstract Service (CAS) registry numbers, FDA UNII (Unique Ingredient Identifiers), and many others. All these various names and identifiers that designate this compound are organized under the Synonyms section.",
+ "Section": [
+ {
+ "TOCHeading": "MeSH Entry Terms",
+ "Description": "Medical Subject Heading (MeSH) names or identifiers matching this PubChem Compound record. The matching between the MeSH and compound records is performed by name matching (i.e., identical common names), as described in Kim et al., J. Cheminform., 2016, 8, 32.",
+ "URL": "http://doi.org/10.1186/s13321-016-0142-6",
+ "DisplayControls": {
+ "ListType": "Columns"
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 157,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Butyl Phthalate"
+ },
+ {
+ "String": "Di n Butyl Phthalate"
+ },
+ {
+ "String": "Di-n-Butyl Phthalate"
+ },
+ {
+ "String": "Dibutyl Phthalate"
+ },
+ {
+ "String": "Phthalate, Butyl"
+ },
+ {
+ "String": "Phthalate, Di-n-Butyl"
+ },
+ {
+ "String": "Phthalate, Dibutyl"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Depositor-Supplied Synonyms",
+ "Description": "Chemical names provided by individual data contributors. Synonyms of Substances corresponding to a PubChem Compound record are combined. Some contributed names may be considered erroneous and filtered out. The link on each synonym shows which depositors provided that particular synonym for this structure.",
+ "DisplayControls": {
+ "ListType": "Columns",
+ "MoveToTop": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "dibutyl phthalate"
+ },
+ {
+ "String": "84-74-2"
+ },
+ {
+ "String": "Di-n-butyl phthalate"
+ },
+ {
+ "String": "n-Butyl phthalate"
+ },
+ {
+ "String": "Butyl phthalate"
+ },
+ {
+ "String": "Genoplast B"
+ },
+ {
+ "String": "Palatinol C"
+ },
+ {
+ "String": "Celluflex DPB"
+ },
+ {
+ "String": "DIBUTYLPHTHALATE"
+ },
+ {
+ "String": "Unimoll DB"
+ },
+ {
+ "String": "Staflex DBP"
+ },
+ {
+ "String": "Elaol"
+ },
+ {
+ "String": "Ergoplast FDB"
+ },
+ {
+ "String": "Witcizer 300"
+ },
+ {
+ "String": "Kodaflex DBP"
+ },
+ {
+ "String": "Dibutyl 1,2-benzenedicarboxylate"
+ },
+ {
+ "String": "Hexaplas M/B"
+ },
+ {
+ "String": "Dibutyl-o-phthalate"
+ },
+ {
+ "String": "Phthalic acid dibutyl ester"
+ },
+ {
+ "String": "dibutyl benzene-1,2-dicarboxylate"
+ },
+ {
+ "String": "1,2-Benzenedicarboxylic acid, dibutyl ester"
+ },
+ {
+ "String": "DBP (ester)"
+ },
+ {
+ "String": "dibutyl-phthalate"
+ },
+ {
+ "String": "N-Butylphthalate"
+ },
+ {
+ "String": "Ersoplast FDA"
+ },
+ {
+ "String": "Uniflex DBP"
+ },
+ {
+ "String": "Hatcol DBP"
+ },
+ {
+ "String": "Phthalate, di-n-butyl"
+ },
+ {
+ "String": "Dibutyl o-phthalate"
+ },
+ {
+ "String": "RC Plasticizer DBP"
+ },
+ {
+ "String": "Phthalic acid, dibutyl ester"
+ },
+ {
+ "String": "Benzene-o-dicarboxylic acid di-n-butyl ester"
+ },
+ {
+ "String": "o-Benzenedicarboxylic acid, dibutyl ester"
+ },
+ {
+ "String": "Phthalate, dibutyl-"
+ },
+ {
+ "String": "RCRA waste number U069"
+ },
+ {
+ "String": "nutyl phthalate"
+ },
+ {
+ "String": "Caswell No. 292"
+ },
+ {
+ "String": "Monocizer dbp"
+ },
+ {
+ "String": "Plasthall dbp"
+ },
+ {
+ "String": "Vestinol c"
+ },
+ {
+ "String": "Hatco dbp"
+ },
+ {
+ "String": "Phthalate, Butyl"
+ },
+ {
+ "String": "PX 104"
+ },
+ {
+ "String": "Phthalic acid di-n-butyl ester"
+ },
+ {
+ "String": "Phthalate, Dibutyl"
+ },
+ {
+ "String": "Ruifeng vp 201"
+ },
+ {
+ "String": "Corflex 440"
+ },
+ {
+ "String": "NSC 6370"
+ },
+ {
+ "String": "Di n Butyl Phthalate"
+ },
+ {
+ "String": "ortho-Dibutyl phthalate"
+ },
+ {
+ "String": "Yh-1bd2"
+ },
+ {
+ "String": "CCRIS 2676"
+ },
+ {
+ "String": "HSDB 922"
+ },
+ {
+ "String": "Di-n-butylorthophthalate"
+ },
+ {
+ "String": "Di-n-butylester kyseliny ftalove"
+ },
+ {
+ "String": "DTXSID2021781"
+ },
+ {
+ "String": "CHEBI:34687"
+ },
+ {
+ "String": "Dibutyl-1,2-benzenedicarboxylate"
+ },
+ {
+ "String": "Dibutylphthatlate"
+ },
+ {
+ "String": "Palatinol DBP"
+ },
+ {
+ "String": "NSC-6370"
+ },
+ {
+ "String": "EINECS 201-557-4"
+ },
+ {
+ "String": "di-n-butyl phthalate (DBuP)"
+ },
+ {
+ "String": "EPA Pesticide Chemical Code 028001"
+ },
+ {
+ "String": "UNII-2286E5R2KE"
+ },
+ {
+ "String": "BRN 1914064"
+ },
+ {
+ "String": "Morflex 240"
+ },
+ {
+ "String": "o-Benzenedicarboxylic acid dibutyl ester"
+ },
+ {
+ "String": "Uniplex 150"
+ },
+ {
+ "String": "1,2-Benzenedicarboxylic acid dibutyl ester"
+ },
+ {
+ "String": "Vp-201"
+ },
+ {
+ "String": "2286E5R2KE"
+ },
+ {
+ "String": "AI-3-00283"
+ },
+ {
+ "String": "Benzenedicarboxylic acid dibutyl ester"
+ },
+ {
+ "String": "CHEMBL272485"
+ },
+ {
+ "String": "DTXCID301781"
+ },
+ {
+ "String": "Benzene-o-dicarboxylic acid, di-n-butyl ester"
+ },
+ {
+ "String": "NSC6370"
+ },
+ {
+ "String": "EC 201-557-4"
+ },
+ {
+ "String": "1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester"
+ },
+ {
+ "String": "MFCD00009441"
+ },
+ {
+ "String": "1,2-dibutyl benzene-1,2-dicarboxylate"
+ },
+ {
+ "String": "Dibutyl ester of 1,2-benzenedicarboxylic acid"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE (II)"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE [II]"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE (MART.)"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE [MART.]"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE (USP-RS)"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE [USP-RS]"
+ },
+ {
+ "String": "dibutyl phthalate (DBP)"
+ },
+ {
+ "String": "CAS-84-74-2"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE (EP MONOGRAPH)"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE [EP MONOGRAPH]"
+ },
+ {
+ "String": "RAPIDCELLtrade markP"
+ },
+ {
+ "String": "Dibutyl phthalate [NF]"
+ },
+ {
+ "String": "SR-05000001549"
+ },
+ {
+ "String": "RCRA waste no. U069"
+ },
+ {
+ "String": "Di-n-butylester kyseliny ftalove [Czech]"
+ },
+ {
+ "String": "Bufa"
+ },
+ {
+ "String": "Phthalic acid, bis-butyl ester"
+ },
+ {
+ "String": "Ergoplast FOB"
+ },
+ {
+ "String": "Synolate MD"
+ },
+ {
+ "String": "Bisoflex DBP"
+ },
+ {
+ "String": "Induflex DBP"
+ },
+ {
+ "String": "Mollan B"
+ },
+ {
+ "String": "Dibutyll phthalate"
+ },
+ {
+ "String": "Ersoplast FDA."
+ },
+ {
+ "String": "Dibutyl 1,2-benzene-dicarboxylate"
+ },
+ {
+ "String": "Hatcp DBP"
+ },
+ {
+ "String": "phthalsauredibutylester"
+ },
+ {
+ "String": "Benzenedicarboxylic acid, dibutyl ester"
+ },
+ {
+ "String": "Ftalato di n-butanolo"
+ },
+ {
+ "String": "Bis-N-butyl phthalate"
+ },
+ {
+ "String": "Sicol 140"
+ },
+ {
+ "String": "Spectrum_001975"
+ },
+ {
+ "String": "Di(1-butyl) phthalate"
+ },
+ {
+ "String": "Phthalsaeure dibutylester"
+ },
+ {
+ "String": "SpecPlus_000628"
+ },
+ {
+ "String": "Dibutyl phthalate, 99%"
+ },
+ {
+ "String": "Spectrum3_000874"
+ },
+ {
+ "String": "Spectrum4_000714"
+ },
+ {
+ "String": "Spectrum5_002068"
+ },
+ {
+ "String": "WITICIZER 300"
+ },
+ {
+ "String": "Epitope ID:138714"
+ },
+ {
+ "String": "WLN: 4OVR BVO2"
+ },
+ {
+ "String": "Dibutyl phthalate, >=99%"
+ },
+ {
+ "String": "SCHEMBL24051"
+ },
+ {
+ "String": "BSPBio_002547"
+ },
+ {
+ "String": "KBioGR_001267"
+ },
+ {
+ "String": "KBioSS_002541"
+ },
+ {
+ "String": "R!C. PLASTICIZER DBP"
+ },
+ {
+ "String": "SPECTRUM330086"
+ },
+ {
+ "String": "MLS002177802"
+ },
+ {
+ "String": "BIDD:ER0641"
+ },
+ {
+ "String": "DivK1c_006724"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE [MI]"
+ },
+ {
+ "String": "GTPL6295"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE [HSDB]"
+ },
+ {
+ "String": "KBio1_001668"
+ },
+ {
+ "String": "KBio2_002532"
+ },
+ {
+ "String": "KBio2_005100"
+ },
+ {
+ "String": "KBio2_007668"
+ },
+ {
+ "String": "KBio3_002047"
+ },
+ {
+ "String": "BUTYL PHTHALATE [WHO-DD]"
+ },
+ {
+ "String": "Dibutyl phthalate, AR, >=99%"
+ },
+ {
+ "String": "Dibutyl phthalate, LR, >=98%"
+ },
+ {
+ "String": "Dibutyl 1, 2-benzenedicarboxylate"
+ },
+ {
+ "String": "Dibutyl-1,2-benzene-dicarboxylate"
+ },
+ {
+ "String": "HMS2091E09"
+ },
+ {
+ "String": "HMS3041E18"
+ },
+ {
+ "String": "Pharmakon1600-00330086"
+ },
+ {
+ "String": "BCP24796"
+ },
+ {
+ "String": "HY-Y0304"
+ },
+ {
+ "String": "Benzol-1,2-dicarbonsauredibutylester"
+ },
+ {
+ "String": "Dibutyl phthalate, Selectophore(TM)"
+ },
+ {
+ "String": "Tox21_201729"
+ },
+ {
+ "String": "Tox21_300980"
+ },
+ {
+ "String": "BBL011532"
+ },
+ {
+ "String": "BDBM50371946"
+ },
+ {
+ "String": "NSC755894"
+ },
+ {
+ "String": "STL146650"
+ },
+ {
+ "String": "AKOS005720807"
+ },
+ {
+ "String": "Di(n-butyl) 1,2-benzenedicarboxylate"
+ },
+ {
+ "String": "1ST1114"
+ },
+ {
+ "String": "CCG-230933"
+ },
+ {
+ "String": "DB13716"
+ },
+ {
+ "String": "NSC-755894"
+ },
+ {
+ "String": "USEPA/OPP Pesticide Code: 028001"
+ },
+ {
+ "String": "NCGC00090769-01"
+ },
+ {
+ "String": "NCGC00090769-02"
+ },
+ {
+ "String": "NCGC00090769-03"
+ },
+ {
+ "String": "NCGC00090769-04"
+ },
+ {
+ "String": "NCGC00090769-05"
+ },
+ {
+ "String": "NCGC00090769-06"
+ },
+ {
+ "String": "NCGC00090769-07"
+ },
+ {
+ "String": "NCGC00090769-08"
+ },
+ {
+ "String": "NCGC00090769-09"
+ },
+ {
+ "String": "NCGC00254882-01"
+ },
+ {
+ "String": "NCGC00259278-01"
+ },
+ {
+ "String": "SMR000777923"
+ },
+ {
+ "String": "SBI-0052568.P002"
+ },
+ {
+ "String": "CS-0013564"
+ },
+ {
+ "String": "Dibutyl phthalate, ReagentPlus(R), >=99%"
+ },
+ {
+ "String": "FT-0624680"
+ },
+ {
+ "String": "NS00010095"
+ },
+ {
+ "String": "P0292"
+ },
+ {
+ "String": "S5377"
+ },
+ {
+ "String": "EN300-77394"
+ },
+ {
+ "String": "1,2 Benzenedicarboxylic acid, di-n-butyl ester"
+ },
+ {
+ "String": "1ST1114-1000"
+ },
+ {
+ "String": "Dibutyl phthalate, SAJ special grade, >=98.0%"
+ },
+ {
+ "String": "1,2 Benzenedicarboxylic acid, bis(n-butyl) ester"
+ },
+ {
+ "String": "Dibutyl phthalate Solution in Hexane, 1000mug/mL"
+ },
+ {
+ "String": "Q415612"
+ },
+ {
+ "String": "J-503795"
+ },
+ {
+ "String": "SR-05000001549-1"
+ },
+ {
+ "String": "SR-05000001549-3"
+ },
+ {
+ "String": "BRD-K73477617-001-01-0"
+ },
+ {
+ "String": "BRD-K73477617-001-04-4"
+ },
+ {
+ "String": "Dibutyl phthalate, PESTANAL(R), analytical standard"
+ },
+ {
+ "String": "F0001-2134"
+ },
+ {
+ "String": "Z277540112"
+ },
+ {
+ "String": "Dibutyl phthalate, certified reference material, TraceCERT(R)"
+ },
+ {
+ "String": "Dibutyl phthalate, European Pharmacopoeia (EP) Reference Standard"
+ },
+ {
+ "String": "Dibutyl phthalate, United States Pharmacopeia (USP) Reference Standard"
+ },
+ {
+ "String": "Dibutyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Removed Synonyms",
+ "Description": "Potentially erroneous chemical names and identifiers provided by PubChem Substance records for the same chemical structure that were removed by name/structure consistency filtering.",
+ "DisplayControls": {
+ "HideThisSection": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Polycizer DBP"
+ },
+ {
+ "String": "dibutylphthalat"
+ },
+ {
+ "String": "Dibutylftalat"
+ },
+ {
+ "String": "Amuvatinib"
+ },
+ {
+ "String": "Dibutyl phthalated"
+ },
+ {
+ "String": "dibutyl phtalate"
+ },
+ {
+ "String": "di-butylphthalate"
+ },
+ {
+ "String": "dibutly phthalate"
+ },
+ {
+ "String": "phthalate dibutyl"
+ },
+ {
+ "String": "dinbutyl phthalate"
+ },
+ {
+ "String": "1, dibutyl ester"
+ },
+ {
+ "String": "di-n-butylphthalate"
+ },
+ {
+ "String": "n-dibutyl phthalate"
+ },
+ {
+ "String": "Araldite 502"
+ },
+ {
+ "String": "di(n-butyl)phthalate"
+ },
+ {
+ "String": "di-n-butyl-phthalate"
+ },
+ {
+ "String": "DNBP"
+ },
+ {
+ "String": "dibutyl phthalate; DBP"
+ },
+ {
+ "String": "DPA (CHRIS Code)"
+ },
+ {
+ "String": "Di-n-butyl phthalate-d4"
+ },
+ {
+ "String": "1,2-benzenedicarboxylic acid"
+ },
+ {
+ "String": "di-n-butyl ortho-phthalate"
+ },
+ {
+ "String": "ACMC-209pw7"
+ },
+ {
+ "String": "D07FLG"
+ },
+ {
+ "String": "DBP (Dibutyl phthalate)"
+ },
+ {
+ "String": "Di-n-butylphthalate (DBP)"
+ },
+ {
+ "String": "di-n-butyl phthalate (dbp)"
+ },
+ {
+ "String": "DOIRQSBPFJWKBE-UHFFFAOYSA-N"
+ },
+ {
+ "String": "DBP"
+ },
+ {
+ "String": "C16H22O4"
+ },
+ {
+ "String": "KSC119E6H"
+ },
+ {
+ "String": "AC1L1F08"
+ },
+ {
+ "String": "AC1Q66W8"
+ },
+ {
+ "String": "DBP (Sigma 524980)"
+ },
+ {
+ "String": "Di-n-butyl l phthalate (BBP)"
+ },
+ {
+ "String": "Di-n-butyl l phthalate (DBP)"
+ },
+ {
+ "String": "butyl 2-(butoxycarbonyl)benzoate"
+ },
+ {
+ "String": "CTK0B9263"
+ },
+ {
+ "String": "Di-n-butyl phthalate, 99% 5g"
+ },
+ {
+ "String": "ERK5-1E05"
+ },
+ {
+ "String": "CID3026"
+ },
+ {
+ "String": "DI-N-BUTYL PHTHALATE-D22"
+ },
+ {
+ "String": "ZINC1693431"
+ },
+ {
+ "String": "Dibutyl phthalate, 99% - 1L 1l"
+ },
+ {
+ "String": "ANW-37829"
+ },
+ {
+ "String": "AR-1I3482"
+ },
+ {
+ "String": "NA9095"
+ },
+ {
+ "String": "NP5211"
+ },
+ {
+ "String": "SBB060337"
+ },
+ {
+ "String": "C16-H22-O4"
+ },
+ {
+ "String": "LS-1840"
+ },
+ {
+ "String": "RL05206"
+ },
+ {
+ "String": "RTR-031465"
+ },
+ {
+ "String": "AN-24078"
+ },
+ {
+ "String": "CJ-28339"
+ },
+ {
+ "String": "SC-74684"
+ },
+ {
+ "String": "Dibutyl Phthalate 99% for synthesis 500ml"
+ },
+ {
+ "String": "TR-031465"
+ },
+ {
+ "String": "C1476"
+ },
+ {
+ "String": "ST50406580"
+ },
+ {
+ "String": "4-09-00-03175 (Beilstein Handbook Reference)"
+ },
+ {
+ "String": "C14214"
+ },
+ {
+ "String": "1,2-Benzenedicarboxylic acid 1,2-dibutyl ester"
+ },
+ {
+ "String": "1,2-Benzenedicarboxylicacid, 1,2-dibutyl ester"
+ },
+ {
+ "String": "D003993"
+ },
+ {
+ "String": "Cyclopentane,tris[2-methyl-1-(1-methylnonyl)decyl]"
+ },
+ {
+ "String": "Araldite(R) resins(modified epoxy resins),grade 502"
+ },
+ {
+ "String": "I14-14981"
+ },
+ {
+ "String": "137077-55-5"
+ },
+ {
+ "String": "DIBUTYL PHTHALATE (SEE ALSO PEROXISOME PROJECT (DIBUTYL PHTHALATE))"
+ },
+ {
+ "String": "PEROXISOME PROJECT (DIBUTYL PHTHALATE) (SEE ALSO DIBUTYL PHTHALATE)"
+ },
+ {
+ "String": "1,2-benzenedicarboxylic acid dibutyl ester; benzenedicarboxylic acid dibutyl ester"
+ },
+ {
+ "String": "N-(1,3-Benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidin-4-yl-1-piperazinecarbothioamide"
+ },
+ {
+ "String": "Oy paragraph sign inverted exclamation mark>>uAU+/-(1/2) paragraph signthorn(1/4)xEao yen"
+ },
+ {
+ "String": "1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester; Dibutyl phthalate; Dibutyl benzene-1,2-dicarboxylate; 1,2-Benzenedicarboxylic acid, dibutyl ester (9CI); Phthalic acid, dibutyl ester (6CI,8CI); Bis-n-butyl phthalate; Butyl phthalate; Celluflex DPB; Corflex 440; DBP; DBP (ester); Di(n-butyl) 1,2-benzenedicarboxylate; Di-n-butyl phthalate; Dibutyl ester 1,2-benzenedicarboxylic acid; Dibutyl o-phthalate; Dibutyl phthalate; Elaol; Ergoplast FDB; Genoplast B; Hatco DBP; Hexaplas M/B; Kodaflex DBP; Monocizer DBP; NSC 6370; PX 104; Palatinol C; Phthalic acid di-n-butyl ester; Plasthall DBP; Polycizer DBP; Staflex DBP; Unimoll DB; Vestinol C; Witcizer 300; YH 1BD2; n-Butyl phthalate"
+ },
+ {
+ "String": "1,2-benzenedicarboxylic acid, dibutyl ester;di-n-butylorthophthalate;di-n-butyl phthalate;phthalic acid, di-n-butylester;dibutyl phthalate (dbp);1,2-benzenedicarboxylic acid, 1,2-dibutyl ester;dibutyl phthalate;di-n-butyl phthalate (dbup);dibutylphthatlate (dbp);phthalic acid, dibutyl ester;dbp;dibutylphthalate;dibutyl-phtalate;1,2-benzenedicarboxylic acid, dibutyl ester di-n-butylorthophthalate di-n-butyl phthalate phthalic acid, di-n-butylester dibutyl phthalate (dbp) 1,2-benzenedicarboxylic acid, 1,2-dibutyl ester dibutyl phthalate di-n-butyl phthalate (dbup) dibutylphthatlate (dbp) phthalic acid, dibutyl ester dbp dibutylphthalate dibutyl-phtalate"
+ },
+ {
+ "String": "358731-15-4"
+ },
+ {
+ "String": "850879-09-3"
+ },
+ {
+ "String": "906-65-0"
+ },
+ {
+ "String": "93952-11-5"
+ },
+ {
+ "String": "AU+/-(1/2) paragraph signthorn(1/4)xEa paragraph signthorn paragraph sign inverted exclamation mark>>uo yen"
+ },
+ {
+ "String": "DB7"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Create Date",
+ "Description": "Date when this compound record was created. For more information on various dates for PubChem records, visit the PubChem Record Dates help page.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/record-dates",
+ "DisplayControls": {
+ "HideThisSection": true,
+ "MoveToTop": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "DateISO8601": [
+ "2005-03-25"
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Modify Date",
+ "Description": "Date when this compound record was last modified. For more information on various dates for PubChem records, visit the PubChem Record Dates help page.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/record-dates",
+ "DisplayControls": {
+ "HideThisSection": true,
+ "MoveToTop": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "DateISO8601": [
+ "2024-07-06"
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical and Physical Properties",
+ "Description": "Various chemical and physical properties that are experimentally determined for this compound. See also the Safety and Hazard Properties section (if available), which has additional properties pertinent to chemical safety and hazards.",
+ "Section": [
+ {
+ "TOCHeading": "Computed Properties",
+ "Description": "Properties of this compound computed from its molecular formula and structure.",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "Subsections",
+ "NumberOfColumns": 3,
+ "ColumnHeadings": [
+ "Property Name",
+ "Property Value",
+ "Reference"
+ ],
+ "ColumnContents": [
+ "Name",
+ "Value",
+ "Reference"
+ ]
+ }
+ },
+ "Section": [
+ {
+ "TOCHeading": "Molecular Weight",
+ "Description": "Molecular weight or molecular mass refers to the mass of a molecule. It is calculated as the sum of the mass of each constituent atom multiplied by the number of atoms of that element in the molecular formula. The molecular weight is also called the relative molar mass, because molecular weights are reported in daltons, which is defined relative to the mass of the isotope 12C (carbon 12).",
+ "URL": "https://www.degruyter.com/document/doi/10.1515/pac-2017-1002/html?lang=en",
+ "DisplayControls": {
+ "MoveToTop": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem 2.2 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "278.34"
+ }
+ ],
+ "Unit": "g/mol"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "XLogP3",
+ "Description": "XLogP3 is a predicted octanol-water partition coefficient, computed using the algorithm described in J. Chem. Inf. Model. 2007, 47, 6, 2140-2148. It is used as a measure of hydrophilicity or hydrophobicity of a molecule.",
+ "URL": "https://pubmed.ncbi.nlm.nih.gov/17985865/",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by XLogP3 3.0 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "Number": [
+ 4.7
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Hydrogen Bond Donor Count",
+ "Description": "The number of hydrogen bond donors in this compound.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "Number": [
+ 0
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Hydrogen Bond Acceptor Count",
+ "Description": "The number of hydrogen bond acceptors in this compound.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "Number": [
+ 4
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Rotatable Bond Count",
+ "Description": "A rotatable bond is defined as any single-order non-ring bond, where atoms on either side of the bond are in turn bound to nonterminal heavy (i.e., non-hydrogen) atoms. That is, where rotation around the bond axis changes the overall shape of the molecule, and generates conformers which can be distinguished by standard fast spectroscopic methods.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "Number": [
+ 10
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Exact Mass",
+ "Description": "The exact mass of an isotopic species is obtained by summing the masses of the individual isotopes of the molecule.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem 2.2 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "278.15180918"
+ }
+ ],
+ "Unit": "g/mol"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Monoisotopic Mass",
+ "Description": "The monoisotopic mass is the sum of the masses of the atoms in a molecule using the unbound, ground-state, rest mass of the principal (most abundant) isotope for each element instead of the isotopic average mass.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem 2.2 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "278.15180918"
+ }
+ ],
+ "Unit": "g/mol"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Topological Polar Surface Area",
+ "Description": "The topological polar surface area (TPSA) is an estimate of the polar surface area (in Angstroms^2) of a molecule, computed as the surface sum over polar atoms in the molecule. The implementation follows the paper by Ertl et al. [J. Med. Chem. 2000, 43, 3714-3717]: only N and O are considered, 3D coordinates are not used, and there are various precomputed factors for different hybridizations, charges and participation in aromatic systems.",
+ "URL": "https://pubmed.ncbi.nlm.nih.gov/11020286/",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "Number": [
+ 52.6
+ ],
+ "Unit": "Ų"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Heavy Atom Count",
+ "Description": "The number of heavy atoms (i.e., non-hydrogen atoms) in this compound.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem"
+ ],
+ "Value": {
+ "Number": [
+ 20
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Formal Charge",
+ "Description": "Formal charge is the difference between the number of valence electrons of each atom and the number of electrons the atom is associated with. Formal charge assumes any shared electrons are equally shared between the two bonded atoms.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem"
+ ],
+ "Value": {
+ "Number": [
+ 0
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Complexity",
+ "Description": "The complexity rating of a compound is a rough estimate of how complicated a structure is, seen from both the point of view of the elements contained and the displayed structural features including symmetry. This complexity rating is computed using the Bertz/Hendrickson/Ihlenfeldt formula.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/glossary#section=Complexity",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)"
+ ],
+ "Value": {
+ "Number": [
+ 271
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Isotope Atom Count",
+ "Description": "Isotope atom count is the number of isotopes that are not most abundant for the corresponding chemical elements. Isotopes are variants of a chemical element which differ in neutron number. For example, among three isotopes of carbon (i.e., C-12, C-13, and C-14), the isotope atom count considers the C-13 and C-14 atoms, because C-12 is the most abundant isotope of carbon.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem"
+ ],
+ "Value": {
+ "Number": [
+ 0
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Defined Atom Stereocenter Count",
+ "Description": "An atom stereocenter, also known as a chiral center, is an atom that is attached to four different types of atoms (or groups of atoms) in the tetrahedral arrangement. It can have either (R)- or (S)- configurations. Some compounds, such as racemic mixtures, have an undefined atom stereocenter, whose (R/S)-configuration is not specifically defined. The \"defined atom stereocenter count\" is the number of atom stereocenters whose configurations are specifically defined. ",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem"
+ ],
+ "Value": {
+ "Number": [
+ 0
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Undefined Atom Stereocenter Count",
+ "Description": "The number of atom stereocenters whose configurations are not specifically defined. For the definition of atom stereocenters, see the \"defined atom stereocenter count\" above.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem"
+ ],
+ "Value": {
+ "Number": [
+ 0
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Defined Bond Stereocenter Count",
+ "Description": "A bond stereocenter is a non-rotatable bond around which two atoms can have different arrangement (as in cis- and trans-forms of butene around its double bond). Some compounds have an undefined bond stereocenter, whose stereochemistry is not specifically defined. The \"defined bond stereocenter count\" is the number of bond stereocenters whose configurations are specifically defined. ",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem"
+ ],
+ "Value": {
+ "Number": [
+ 0
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Undefined Bond Stereocenter Count",
+ "Description": "The number of bond stereocenters whose configurations are not specifically defined. For the definition of bond stereocenters, see the \"defined bond stereocenter count\" above.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem"
+ ],
+ "Value": {
+ "Number": [
+ 0
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Covalently-Bonded Unit Count",
+ "Description": "A covalently-bonded unit is a group of atoms connected by covalent bonds, ignoring other bond types (or a single atom without covalent bonds). The \"covalently-bonded unit count\" property is the number of such units in this compound compound.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem"
+ ],
+ "Value": {
+ "Number": [
+ 1
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Compound Is Canonicalized",
+ "Description": "Whether the compound has successfully passed PubChem's valence bond canonicalization procedure. Some large, complex, or highly symmetric structures may fail this process.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Reference": [
+ "Computed by PubChem (release 2021.10.14)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Yes"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Experimental Properties",
+ "Description": "Various experimentally determined properties for this compound. See also the Safety and Hazard Properties section (if available), which has additional properties pertinent to chemical safety and hazards.",
+ "Section": [
+ {
+ "TOCHeading": "Physical Description",
+ "Description": "The appearance or features of this compound, including color, odor, state, taste and more in general.",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "N-butyl phthalate is a colorless oily liquid. It is insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since it is a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams. It is combustible though it may take some effort to ignite. It is used in paints and plastics and as a reaction media for chemical reactions.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/N-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 65,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 19,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Liquid"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 29,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Colorless to faint-yellow, oily liquid with a slight, aromatic odor; [NIOSH]"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 32,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Solid"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "COLOURLESS-TO-YELLOW VISCOUS LIQUID WITH CHARACTERISTIC ODOUR."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Colorless to faint-yellow, oily liquid with a slight, aromatic odor."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Colorless to faint-yellow, oily liquid with a slight, aromatic odor."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Color/Form",
+ "Description": "Color is the aspect of any object that may be described in terms of hue, lightness, and saturation.",
+ "URL": "https://www.britannica.com/science/color",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Colorless to faint yellow, oily liquid"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Odor",
+ "Description": "The property of certain chemicals, in very small concentrations, to stimulate chemical sense receptors that sample the air or water.",
+ "URL": "https://www.britannica.com/science/odor",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Slight, aromatic odor"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Taste",
+ "Description": "The sensation of flavor perceived in the mouth and throat on contact with a substance.",
+ "URL": "https://www.britannica.com/science/taste-sense",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Grant, W.M. Toxicology of the Eye. 3rd ed. Springfield, IL: Charles C. Thomas Publisher, 1986., p. 317"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Tastes strong and bitter"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Boiling Point",
+ "Description": "The temperature at which this compound changes state from liquid to gas at a given atmospheric pressure.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Organic_Chemistry/Organic_Chemistry_Lab_Techniques_(Nichols)/06%3A_Miscellaneous_Techniques/6.02%3A_Boiling_Point",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "644 °F at 760 mmHg (NTP, 1992)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 550"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "340 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 32,
+ "Reference": [
+ "The Good Scents Company Information System"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "337.00 to 340.00 °C. @ 760.00 mm Hg"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "340 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "644 °F"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "644 °F"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Melting Point",
+ "Description": "This section provides the melting point and/or freezing point. The melting point is the temperature at which a substance changes state from solid to liquid at atmospheric pressure. When considered as the temperature of the reverse change (from liquid to solid), it is referred to as the freezing point.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Organic_Chemistry/Organic_Chemistry_Lab_Techniques_(Nichols)/06%3A_Miscellaneous_Techniques/6.01%3A_Melting_Point",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "-31 °F (NTP, 1992)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-156"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "-35 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 32,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "35 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "-35 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "-31 °F"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "-31 °F"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Flash Point",
+ "Description": "The lowest temperature at which a liquid can gives off vapor to form an ignitable mixture in air near the surface of the liquid.",
+ "URL": "https://www.britannica.com/science/flash-point",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "315 °F (NTP, 1992)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 29,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "315 °F"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-39"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "315 °F (157 °C) (Closed cup)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "157 °C c.c."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "315 °F"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "315 °F"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Solubility",
+ "Description": "The solubility of a substance is the amount of that substance that will dissolve in a given amount of solvent. The default solvent is water, if not indicated.",
+ "URL": "https://chem.libretexts.org/Courses/Purdue/Purdue%3A_Chem_26505%3A_Organic_Chemistry_I_(Lipton)/Chapter_4._Intermolecular_Forces_and_Physical_Properties/4.4_Solubility",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "less than 1 mg/mL at 68 °F (NTP, 1992)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "ITO ET AL; AICHI IKA DAIGAKU IGAKKAI ZASSHI 7 (3): 183 (1979)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "More soluble in /perspiration/ than in water & increased solubility with pH rise",
+ "Markup": [
+ {
+ "Start": 39,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Howard PH et al; Environ Tox and Chem 4: 653-61 (1985)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "In water, 11.2 mg/L at 20 °C",
+ "Markup": [
+ {
+ "Start": 3,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lefaux, R. Practical Toxicology of Plastics. Cleveland: CRC Press Inc., 1968., p. 137"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.001% in water at 30 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 550"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Very soluble in acetone, benzene",
+ "Markup": [
+ {
+ "Start": 16,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ },
+ {
+ "Start": 25,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/benzene",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-241"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-156"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Miscible with ethanol, ethyl ether, benzene; soluble in carbon tetrachloride",
+ "Markup": [
+ {
+ "Start": 14,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ethanol",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-702"
+ },
+ {
+ "Start": 23,
+ "Length": 11,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ethyl%20ether",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3283"
+ },
+ {
+ "Start": 36,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/benzene",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-241"
+ },
+ {
+ "Start": 56,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/carbon%20tetrachloride",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5943"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lefaux, R. Practical Toxicology of Plastics. Cleveland: CRC Press Inc., 1968., p. 137"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Soluble in most organic solvents and oils"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 32,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.0112 mg/mL at 25 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Solubility in water, g/100ml at 25 °C: 0.001",
+ "Markup": [
+ {
+ "Start": 14,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(77 °F): 0.001%"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Density",
+ "Description": "This section provides information on the density (with unit) and specific gravity (without unit) of a compound. Density is mass of a unit volume of a compound and commonly expressed in units of kg/m3 or g/cm3. Specific gravity, also known as relative density, is a unit-less quantity, defined as the ratio of the density of a compound to that of a standard reference material (typically, water at 4 °C for liquids and air at room temperature [20 °C or 68 °F] for gases).",
+ "URL": "https://chem.libretexts.org/Bookshelves/Introductory_Chemistry/Map%3A_Fundamentals_of_General_Organic_and_Biological_Chemistry_(McMurry_et_al.)/01%3A_Matter_and_Measurements/1.12%3A_Density_and_Specific_Gravity",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1.049 at 68 °F (USCG, 1999) - Denser than water; will sink",
+ "Markup": [
+ {
+ "Start": 42,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 550"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1.0459 and 1.0465 at 20 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Relative density (water = 1): 1.05",
+ "Markup": [
+ {
+ "Start": 18,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1.05"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1.05"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Vapor Density",
+ "Description": "The density of a gas or vapor relative to that of the reference gas. While some resources use the hydrogen gas as the reference gas for the vapor density calculation, many resources (particularly in relation to safety considerations at commercial and industrial facilities in the U.S.) defines the vapor density with respect to the density of air, which has an arbitrary value of one. If a gas has a vapor density of less than one it will generally rise in air. If the vapor density is greater than one the gas will generally sink in air.",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "9.58 (NTP, 1992) - Heavier than air; will sink (Relative to Air)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. 1421"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "9.58 (Air = 1)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Relative vapor density (air = 1): 9.58"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "9.58"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Vapor Pressure",
+ "Description": "Vapor pressure (or equilibrium vapor pressure) is the pressure of a vapor in thermodynamic equilibrium with its condensed phases in a closed system.",
+ "URL": "https://chem.libretexts.org/Bookshelves/General_Chemistry/Map%3A_Chemistry_-_The_Central_Science_(Brown_et_al.)/11%3A_Liquids_and_Intermolecular_Forces/11.05%3A_Vapor_Pressure",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1 mmHg at 297 °F ; 1.1 mmHg at 302 °F (NTP, 1992)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 29,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.0000201 [mmHg]"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA/ECAO; Phthalate Atlas Report p.I-3 (1980)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Vapor pressure = 14 mm Hg at 200 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 398"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Vapor pressure = 1.1 mm Hg at 150 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Giam CS et al; Atmos Environ 14: 65-9 (1980)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Vapor pressure = 1.4X10-5 torr at 25 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Donovan SF; J Chromatogr A 749: 123-129 (1996)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2.01X10-5 mm Hg at 25 °C"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Vapor pressure, kPa at 20 °C:"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.00007 mmHg"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.00007 mmHg"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "LogP",
+ "Description": "Log P is the partition coefficient expressed in logarithmic form. The partition coefficient is the ratio of concentrations of a compound in a mixture of two immiscible solvents at equilibrium. This ratio is therefore used to compare the solubilities of the solute in these two solvents. Because octanol and water are the most commonly used pair of solvents for measuring partition coefficients, the Log P values listed in this section refer to octanol/water partition coefficients, unless indicated otherwise.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Ellington JJ, Floyd TL; Octanol/water partition coefficients for eight phthalate esters. EPA/600/S-96/006, Sept. 1996. Athens, GA: US Environ Prot Agency, National Exposure Research Lab (1996)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "log Kow = 4.50"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 32,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "4.50"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "4.72"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Henry's Law Constant",
+ "Description": "Henry's law states that the amount of dissolved gas (in liquid, such as water) is proportional to its partial pressure in the gas phase. The proportionality factor is called the Henry's law constant and defined as the ratio of a compound's partial pressure in air to the concentration of the compound in water at a given temperature.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Physical_Properties_of_Matter/Solutions_and_Mixtures/Ideal_Solutions/Dissolving_Gases_In_Liquids%2C_Henry%27s_Law",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Atlas E et al; Chemosphere 12: 1251-8 (1983)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Henry's Law constant = 1.81X10-6 atm-cu m/mole at 25 °C"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Stability/Shelf Life",
+ "Description": "Tendency of a material to resist change or decomposition due to internal reaction, or due to the action of air, heat, light, pressure, etc. See also the Stability and Reactivity subsection under the Safety and Hazards section on this page (when available).",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Sigma-Aldrich; Material Safety Data Sheet for Dibutyl phthalate, Product Number: 524980, Version 4.10 (Revision Date 01/20/2015). Available from, as of March 9, 2015: https://www.sigmaaldrich.com/safety-center.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stable under recommended storage conditions."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lefaux, R. Practical Toxicology of Plastics. Cleveland: CRC Press Inc., 1968., p. 137"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Excellent stability to light"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Autoignition Temperature",
+ "Description": "The lowest temperature at which the substance will spontaneously ignite in a normal atmosphere without an external source of ignition (e.g., spark or flame).",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "757 °F (USCG, 1999)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-39"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "757 °F (402 °C)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "402 °C"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Decomposition",
+ "Description": "Information on the decomposition of this compound, including the decomposition conditions and products.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 1164"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "When heated to decomp it emits acrid smoke and fumes."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Viscosity",
+ "Description": "Viscosity is a measure of a fluid's resistance to flow. It describes the internal friction of a moving fluid.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Physical_Properties_of_Matter/States_of_Matter/Properties_of_Liquids/Viscosity",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 398"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.203 poise at 20 °C"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Heat of Combustion",
+ "Description": "The heat of combustion is the energy released as heat when a compound undergoes complete combustion with oxygen under standard conditions.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Introductory_Chemistry/Introductory_Chemistry_(CK-12)/17%3A_Thermochemistry/17.14%3A_Heat_of_Combustion",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "-13,300 BTU/lb = -7400 cal/g = -310X10+5 J/kg"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Heat of Vaporization",
+ "Description": "The heat (or enthalpy) of vaporization is the quantity of heat that must be absorbed if a certain quantity of liquid is vaporized at a constant temperature.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Thermodynamics/Energies_and_Potentials/Enthalpy/Heat_of_Vaporization",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 6-135"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "79.2 kJ/mol at 340 °C"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Surface Tension",
+ "Description": "Surface tension is a contractive tendency of the surface of a liquid that allows it to resist an external force. It is measured as the energy required to increase the surface area of a liquid by a unit of area.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Physical_Properties_of_Matter/States_of_Matter/Properties_of_Liquids/Surface_Tension",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Liquid surface tension: 34 dynes/cm = 0.034 N/M at 20 °C"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Odor Threshold",
+ "Description": "The odor (detection) threshold is the lowest concentration of a certain odor compound that is perceivable by the human sense of smell.",
+ "URL": "https://cfpub.epa.gov/ncea/risk/hhra/recordisplay.cfm?deid=40610",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA; Ambient Water Quality Criteria Doc: Phthalate esters p.C-27 (1980) EPA 440/5-80-067"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "In humans, an olfactory threshold value ranging from 0.26 to 1.47 mg/cu m /was found/."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Refractive Index",
+ "Description": "The refractive index (also called index of refraction) of an optical medium is a dimensionless number that quantifies the light-bending ability of that medium.",
+ "URL": "https://www.britannica.com/science/refractive-index",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 550"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Index of refraction: 1.4900 at 20 °C/D"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Collision Cross Section",
+ "Description": "Collision cross section (CCS) represents the effective area for the interaction between an individual ion and the neutral gas through which it is traveling (e.g., in ion mobility spectrometry (IMS) experiments). It quantifies the probability of a collision taking place between two or more particles.",
+ "URL": "https://pubmed.ncbi.nlm.nih.gov/28035808/",
+ "Information": [
+ {
+ "ReferenceNumber": 6,
+ "Reference": [
+ "https://pubs.acs.org/doi/abs/10.1021/acs.analchem.7b01709"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "180.7 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]",
+ "Markup": [
+ {
+ "Start": 15,
+ "Length": 1,
+ "Type": "Superscript"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Kovats Retention Index",
+ "Description": "The Kovats retention index is a dimensionless quantity that characterizes the rate at which a compound is processed through a gas chromatography column.",
+ "URL": "https://goldbook.iupac.org/terms/view/R05360",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ListType": "CommaSeparated"
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 113,
+ "Name": "Standard non-polar",
+ "Value": {
+ "Number": [
+ 1909.1,
+ 1909,
+ 1910,
+ 1910,
+ 1915,
+ 1913.99,
+ 1916.64,
+ 1917.4,
+ 1921.8,
+ 1924.51,
+ 1929.33,
+ 1930.43,
+ 1930,
+ 1919,
+ 1922,
+ 1924,
+ 1940,
+ 1937,
+ 1938,
+ 1940,
+ 1913,
+ 1926,
+ 1906,
+ 1957,
+ 1936,
+ 1936,
+ 1937,
+ 1937,
+ 1937,
+ 1938,
+ 1947,
+ 1925,
+ 1912,
+ 1923,
+ 1903,
+ 1909,
+ 1920,
+ 1923,
+ 1917,
+ 1934.8,
+ 1938,
+ 1914,
+ 1913,
+ 1930,
+ 1940,
+ 1950,
+ 331.6,
+ 331.6,
+ 331.5,
+ 326.93,
+ 328
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 113,
+ "Name": "Semi-standard non-polar",
+ "Value": {
+ "Number": [
+ 1967.4,
+ 1970,
+ 1963.8,
+ 1959.7,
+ 1965,
+ 1968.4,
+ 1973,
+ 1973.86,
+ 1976.88,
+ 1970,
+ 1974,
+ 1960,
+ 1970,
+ 1955,
+ 1965,
+ 1961,
+ 1970,
+ 1954,
+ 1960,
+ 1922,
+ 1970,
+ 1980,
+ 1940,
+ 1957,
+ 1959,
+ 1973,
+ 1907,
+ 1970,
+ 1960.9,
+ 1969,
+ 1972.2,
+ 1957.6,
+ 1970.7,
+ 1959,
+ 1940.9,
+ 1946.2,
+ 1958.2,
+ 1975.2,
+ 1966,
+ 1926.6,
+ 324
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 113,
+ "Name": "Standard polar",
+ "Value": {
+ "Number": [
+ 2618,
+ 2678,
+ 2630,
+ 2631,
+ 2705,
+ 2680,
+ 2693,
+ 2680,
+ 2667,
+ 2680,
+ 2683
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Other Experimental Properties",
+ "Description": "Other experimental properties of this chemical.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 398"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Distillation range: 227-235 °C @ 37 mm Hg; wt/gal: 8.72 lb @ 68 °F"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Tomita A et al; J Amer Chem Soc 99: 5725-8 (1977)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Alkaline hydrolysis rate of di-n-butylphthalate in a solvent water-toluene binary mixture at 25 °C was <3.0X10-8 sec -1 (NaOH concn 0.186 M).",
+ "Markup": [
+ {
+ "Start": 61,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 67,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/toluene",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-1140"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LIQUID-WATER INTERFACIAL TENSION: 27 DYNES/CM= 0.027 N/M @ 22.7 °C",
+ "Markup": [
+ {
+ "Start": 7,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/WATER",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Conversion: 1 ppm = 11.57 mg/cu m"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Other Experimental Properties (Complete) data for DIBUTYL PHTHALATE (6 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 105,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Other-Experimental-Properties-(Complete)"
+ },
+ {
+ "Start": 59,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "SpringerMaterials Properties",
+ "Description": "List of properties available in SpringerMaterials, which has chemical and physical property data pertinent to materials science, physics, chemistry and engineering.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/springermaterials",
+ "DisplayControls": {
+ "ListType": "Columns"
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 143,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Angular frequency",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=angular%20frequency&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Boiling point",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 13,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=boiling%20point&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Chemical diffusion",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 18,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=chemical%20diffusion&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Chemical shift",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 14,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=chemical%20shift&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Density",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 7,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=density&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Diamagnetic susceptibility",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 26,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=diamagnetic%20susceptibility&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Dielectric constant",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 19,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=dielectric%20constant&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Diffusion",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 9,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=diffusion&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Diffusive flux",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 14,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=diffusive%20flux&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "External quantum efficiency",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 27,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=external%20quantum%20efficiency&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Heat of sublimation",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 19,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=heat%20of%20sublimation&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Lineshape",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 9,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=lineshape&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Luminescence",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 12,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=luminescence&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Luminescence emission linewidth",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 31,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=luminescence%20emission%20linewidth&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Magnetic susceptibility",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 23,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=magnetic%20susceptibility&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Optical coefficient",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 19,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=optical%20coefficient&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Polarization degree",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 19,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=polarization%20degree&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Refractive index",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 16,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=refractive%20index&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Surface tension",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 15,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=surface%20tension&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Vapor pressure",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 14,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=vapor%20pressure&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ },
+ {
+ "String": "Viscosity",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 9,
+ "URL": "https://materials.springer.com/search?searchTerm=phthalic+acid+dibutyl+ester&propertyFacet=viscosity&substanceId=smsid_tplqjgojlcanqiuk"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical Classes",
+ "Description": "Chemical classes are groupings that relate chemicals by similar features. Chemicals can be classified by their structure (e.g., hydrocarbons), uses (e.g., pesticides), physical properties, radiological properties, or other factors.",
+ "Information": [
+ {
+ "ReferenceNumber": 29,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Plastics & Rubber -> Phthalate Esters"
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "Cosmetics",
+ "Description": "Chemicals are used as ingredients in cosmetic products.",
+ "Information": [
+ {
+ "ReferenceNumber": 13,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Cosmetic ingredients (Dibutyl Phthalate) -> CIR (Cosmetic Ingredient Review)",
+ "Markup": [
+ {
+ "Start": 22,
+ "Length": 17,
+ "URL": "https://cir-reports.cir-safety.org/cir-ingredient-status-report/?id=17f63e9d-9778-ec11-8d21-000d3a991547"
+ },
+ {
+ "Start": 22,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20Phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Endocrine Disruptors",
+ "Description": "Endocrine disruptors are natural or man-made chemicals that may mimic or interfere with the body's hormones, known as the endocrine system.",
+ "Information": [
+ {
+ "ReferenceNumber": 119,
+ "Reference": [
+ "S109 | PARCEDC | List of 7074 potential endocrine disrupting compounds (EDCs) by PARC T4.2 | DOI:10.5281/zenodo.10944198"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Potential endocrine disrupting compound"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Polymers",
+ "Description": "A polymer refers a class of natural or synthetic substances composed of many chemical unit monomers. ",
+ "Information": [
+ {
+ "ReferenceNumber": 119,
+ "Reference": [
+ "S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Plastics -> PUR; PVC (soft)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 119,
+ "Reference": [
+ "S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Plastics -> Plasticisers"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Spectral Information",
+ "Description": "Spectral data for this compound, including 1-D and 2-D nuclear magnetic resonance (NMR), Infrared (IR), Raman, and Ultraviolet (UV) spectroscopy, mass spectrometry (MS), and chromatography.",
+ "Section": [
+ {
+ "TOCHeading": "1D NMR Spectra",
+ "Description": "One-dimensional (1D) nuclear magnetic resonance (NMR) spectra.",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V1: 812"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1H NMR: 721 (Sadtler Research Laboratories Spectral Collection)"
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "1H NMR Spectra",
+ "Description": "Hydrogen-1 nuclear magnetic resonance (NMR) spectroscopy (also known as H1 NMR or proton NMR) is a version of NMR spectroscopy used to elucidate the structure of hydrogen-containing compounds.",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 39,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/nmr_one_d/2672",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2672"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 39,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "JEOL"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 39,
+ "Name": "Frequency",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "90 MHz"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 39,
+ "Name": "Solvent",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CDCl3"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 39,
+ "Name": "Shifts [ppm]:Intensity",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "7.71:168.00, 7.77:187.00, 1.03:467.00, 7.51:164.00, 0.98:41.00, 1.58:138.00, 1.42:158.00, 1.48:184.00, 1.50:122.00, 1.03:441.00, 1.75:70.00, 1.52:52.00, 1.39:180.00, 0.96:982.00, 1.89:34.00, 1.77:68.00, 1.87:46.00, 1.63:153.00, 1.30:94.00, 0.94:344.00, 1.04:274.00, 1.38:93.00, 7.63:133.00, 1.55:171.00, 1.78:72.00, 7.73:220.00, 7.67:404.00, 4.31:1000.00, 1.47:199.00, 1.45:60.00, 1.73:244.00, 1.53:45.00, 7.45:188.00, 7.52:191.00, 0.99:46.00, 7.49:211.00, 1.66:218.00, 1.61:98.00, 7.56:385.00, 0.88:211.00, 7.67:393.00, 0.86:109.00, 1.82:82.00, 1.44:73.00, 1.32:168.00, 1.65:219.00, 1.24:75.00, 1.57:134.00, 1.35:69.00, 0.89:146.00, 7.60:134.00, 7.55:369.00, 1.70:140.00, 1.53:46.00, 4.24:517.00, 7.70:260.00, 1.41:120.00, 1.36:63.00, 1.56:160.00, 4.38:369.00, 1.80:120.00"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 39,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/nmr.cgi?peaks=7.71:168.00,7.77:187.00,1.03:467.00,7.51:164.00,0.98:41.00,1.58:138.00,1.42:158.00,1.48:184.00,1.50:122.00,1.03:441.00,1.75:70.00,1.52:52.00,1.39:180.00,0.96:982.00,1.89:34.00,1.77:68.00,1.87:46.00,1.63:153.00,1.30:94.00,0.94:344.00,1.04:274.00,1.38:93.00,7.63:133.00,1.55:171.00,1.78:72.00,7.73:220.00,7.67:404.00,4.31:1000.00,1.47:199.00,1.45:60.00,1.73:244.00,1.53:45.00,7.45:188.00,7.52:191.00,0.99:46.00,7.49:211.00,1.66:218.00,1.61:98.00,7.56:385.00,0.88:211.00,7.67:393.00,0.86:109.00,1.82:82.00,1.44:73.00,1.32:168.00,1.65:219.00,1.24:75.00,1.57:134.00,1.35:69.00,0.89:146.00,7.60:134.00,7.55:369.00,1.70:140.00,1.53:46.00,4.24:517.00,7.70:260.00,1.41:120.00,1.36:63.00,1.56:160.00,4.38:369.00,1.80:120.00",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/nmr.cgi?peaks=7.71:168.00,7.77:187.00,1.03:467.00,7.51:164.00,0.98:41.00,1.58:138.00,1.42:158.00,1.48:184.00,1.50:122.00,1.03:441.00,1.75:70.00,1.52:52.00,1.39:180.00,0.96:982.00,1.89:34.00,1.77:68.00,1.87:46.00,1.63:153.00,1.30:94.00,0.94:344.00,1.04:274.00,1.38:93.00,7.63:133.00,1.55:171.00,1.78:72.00,7.73:220.00,7.67:404.00,4.31:1000.00,1.47:199.00,1.45:60.00,1.73:244.00,1.53:45.00,7.45:188.00,7.52:191.00,0.99:46.00,7.49:211.00,1.66:218.00,1.61:98.00,7.56:385.00,0.88:211.00,7.67:393.00,0.86:109.00,1.82:82.00,1.44:73.00,1.32:168.00,1.65:219.00,1.24:75.00,1.57:134.00,1.35:69.00,0.89:146.00,7.60:134.00,7.55:369.00,1.70:140.00,1.53:46.00,4.24:517.00,7.70:260.00,1.41:120.00,1.36:63.00,1.56:160.00,4.38:369.00,1.80:120.00"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 133,
+ "Name": "Instrument Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Varian A-60"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 133,
+ "Name": "Source of Sample",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Commercial Solvents Corporation, New York, New York"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 133,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 133,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/B7m5RBWg30U",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4895369_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 140,
+ "Name": "Source of Spectrum",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Sigma-Aldrich Co. LLC."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 140,
+ "Name": "Source of Sample",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Sigma-Aldrich Co. LLC."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 140,
+ "Name": "Catalog Number",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "152439"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 140,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 140,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/Euw57g3qqBZ",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/13601499_1"
+ ],
+ "MimeType": "image/png"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "13C NMR Spectra",
+ "Description": "Carbon-13 nuclear magnetic resonance (NMR) spectroscopy (also known as 13C NMR) is a version of NMR spectroscopy used to elucidate the structure of carbon-containing compounds.",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 40,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/nmr_one_d/3359",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "3359"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 40,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Varian"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 40,
+ "Name": "Frequency",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "25.16 MHz"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 40,
+ "Name": "Solvent",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CDCl3"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 40,
+ "Name": "Shifts [ppm]:Intensity",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.73:801.00, 128.87:1000.00, 30.64:886.00, 132.43:612.00, 65.52:970.00, 19.24:920.00, 130.94:925.00, 167.67:498.00"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 40,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/nmr.cgi?peaks=13.73:801.00,128.87:1000.00,30.64:886.00,132.43:612.00,65.52:970.00,19.24:920.00,130.94:925.00,167.67:498.00",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/nmr.cgi?peaks=13.73:801.00,128.87:1000.00,30.64:886.00,132.43:612.00,65.52:970.00,19.24:920.00,130.94:925.00,167.67:498.00"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 132,
+ "Name": "Source of Sample",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Wallace & Tiernan, Inc., Belleville, New Jersey"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 132,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 132,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/HeyCheBvlyi",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4895368_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 138,
+ "Name": "Instrument Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Varian HA-100"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 138,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 138,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/KAbY7V5vefY",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/10357802_1"
+ ],
+ "MimeType": "image/png"
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Mass Spectrometry",
+ "Description": "Mass spectrometry (MS or mass spec) is a technique to determine molecular structure through ionization and fragmentation of the parent compound into smaller components.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Organic_Chemistry/Supplemental_Modules_(Organic_Chemistry)/Spectroscopy/Mass_Spectrometry",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Section": [
+ {
+ "TOCHeading": "GC-MS",
+ "Description": "Data from gas chromatography-mass spectrometry (GC-MS) experiments.",
+ "URL": "https://chem.libretexts.org/Bookshelves/General_Chemistry/Book%3A_Structure_and_Reactivity_in_Organic_Biological_and_Inorganic_Chemistry_(Schaller)/II%3A_Practical_Aspects_of_Structure_-_Purification_and_Spectroscopy/06%3A_Introductory_Mass_Spectrometry/6.03%3A_GC-MS_and_LC-MS",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 33,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/c_ms/101317",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "101317"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 33,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 33,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 33,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-0a6s-0490000000-bb10c8ff49d65e9fbcfd%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0a6s-0490000000-bb10c8ff49d65e9fbcfd"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 33,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "205.0 99.99"
+ },
+ {
+ "String": "149.0 75.77"
+ },
+ {
+ "String": "279.0 60.77"
+ },
+ {
+ "String": "206.0 12.19"
+ },
+ {
+ "String": "280.0 10.72"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 33,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=205.0:99.99,149.0:75.77,279.0:60.77,206.0:12.19,280.0:10.72",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=205.0:99.99,149.0:75.77,279.0:60.77,206.0:12.19,280.0:10.72"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 33,
+ "Name": "Notes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "instrument=Unknown"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 34,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/c_ms/101318",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "101318"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 34,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 34,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 34,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-0002-1910000000-964b3411de1f914de4da%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-1910000000-964b3411de1f914de4da"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 34,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0 99.99"
+ },
+ {
+ "String": "205.0 11.60"
+ },
+ {
+ "String": "150.0 11"
+ },
+ {
+ "String": "56.0 7.30"
+ },
+ {
+ "String": "55.0 6.80"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 34,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0:99.99,205.0:11.60,150.0:11,56.0:7.30,55.0:6.80",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0:99.99,205.0:11.60,150.0:11,56.0:7.30,55.0:6.80"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 34,
+ "Name": "Notes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "instrument=JEOL JMS-01-SG-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 35,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/c_ms/101319",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "101319"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 35,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 35,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 35,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-0002-0910000000-97464fdc3b8040ec3d36%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0910000000-97464fdc3b8040ec3d36"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 35,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0 99.99"
+ },
+ {
+ "String": "150.0 9.74"
+ },
+ {
+ "String": "223.0 8.51"
+ },
+ {
+ "String": "205.0 6.82"
+ },
+ {
+ "String": "160.0 1.10"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 35,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0:99.99,150.0:9.74,223.0:8.51,205.0:6.82,160.0:1.10",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0:99.99,150.0:9.74,223.0:8.51,205.0:6.82,160.0:1.10"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 35,
+ "Name": "Notes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "instrument=HITACHI M-80"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 36,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/c_ms/101320",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "101320"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 36,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 36,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 36,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-052b-0960000000-7a12a722da333ebed5e0%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-052b-0960000000-7a12a722da333ebed5e0"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 36,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0 99.99"
+ },
+ {
+ "String": "205.0 52"
+ },
+ {
+ "String": "279.0 12.39"
+ },
+ {
+ "String": "150.0 8.71"
+ },
+ {
+ "String": "223.0 7.11"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 36,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0:99.99,205.0:52,279.0:12.39,150.0:8.71,223.0:7.11",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0:99.99,205.0:52,279.0:12.39,150.0:8.71,223.0:7.11"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 36,
+ "Name": "Notes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "instrument=HITACHI M-80"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 37,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/c_ms/101321",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "101321"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 37,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 37,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 37,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-0002-5900000000-bb309d93583ab774d1f9%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-5900000000-bb309d93583ab774d1f9"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 37,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0 99.99"
+ },
+ {
+ "String": "41.0 14.63"
+ },
+ {
+ "String": "56.0 9.73"
+ },
+ {
+ "String": "150.0 9.59"
+ },
+ {
+ "String": "29.0 8.05"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 37,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0:99.99,41.0:14.63,56.0:9.73,150.0:9.59,29.0:8.05",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0:99.99,41.0:14.63,56.0:9.73,150.0:9.59,29.0:8.05"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 37,
+ "Name": "Notes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "instrument=HITACHI M-80B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 38,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/c_ms/27120",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "27120"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 38,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 38,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 38,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-0a6s-0490000000-bb10c8ff49d65e9fbcfd%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0a6s-0490000000-bb10c8ff49d65e9fbcfd"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 38,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "205.0 99.99"
+ },
+ {
+ "String": "149.0 75.77"
+ },
+ {
+ "String": "279.0 60.77"
+ },
+ {
+ "String": "206.0 12.19"
+ },
+ {
+ "String": "280.0 10.72"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 38,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=205.0:99.99,149.0:75.77,279.0:60.77,206.0:12.19,280.0:10.72",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=205.0:99.99,149.0:75.77,279.0:60.77,206.0:12.19,280.0:10.72"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 38,
+ "Name": "Notes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "instrument=Unknown"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU500401",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Athens_Univ-AU500401"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chrysoula Kanakaki, Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Bruker 450 GC coupled to maXis Impact"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "GC-APCI-QTOF"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "APCI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "10 eV"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Rxi-5Sil MS column, 30m, 0.25mm i.d., 0.25µm film thickness, Restek"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "17.566 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0249 999"
+ },
+ {
+ "String": "205.0863 263"
+ },
+ {
+ "String": "150.0285 66"
+ },
+ {
+ "String": "151.1507 33"
+ },
+ {
+ "String": "206.0897 29"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0920000000-9083f1bb57277918474c",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0920000000-9083f1bb57277918474c"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0249:999,205.0863:263,150.0285:66,151.1507:33,206.0897:29",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0249:999,205.0863:263,150.0285:66,151.1507:33,206.0897:29"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 53,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU500402",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Athens_Univ-AU500402"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chrysoula Kanakaki, Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Bruker 450 GC coupled to maXis Impact"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "GC-APCI-QTOF"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "APCI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "20 eV"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Rxi-5Sil MS column, 30m, 0.25mm i.d., 0.25µm film thickness, Restek"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "17.563 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0253 999"
+ },
+ {
+ "String": "150.0293 57"
+ },
+ {
+ "String": "133.1013 35"
+ },
+ {
+ "String": "135.1176 29"
+ },
+ {
+ "String": "147.1193 25"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-2bfba4f3ecb587aab038",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-2bfba4f3ecb587aab038"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0253:999,150.0293:57,133.1013:35,135.1176:29,147.1193:25",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0253:999,150.0293:57,133.1013:35,135.1176:29,147.1193:25"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 54,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU500403",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Athens_Univ-AU500403"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chrysoula Kanakaki, Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Bruker 450 GC coupled to maXis Impact"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "GC-APCI-QTOF"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "APCI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "30 eV"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Rxi-5Sil MS column, 30m, 0.25mm i.d., 0.25µm film thickness, Restek"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "17.572 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0255 999"
+ },
+ {
+ "String": "150.0289 87"
+ },
+ {
+ "String": "133.1017 82"
+ },
+ {
+ "String": "119.0854 46"
+ },
+ {
+ "String": "135.117 37"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-a737570ea1c92d9208b1",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-a737570ea1c92d9208b1"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0255:999,150.0289:87,133.1017:82,119.0854:46,135.117:37",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0255:999,150.0289:87,133.1017:82,119.0854:46,135.117:37"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 55,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU500404",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Athens_Univ-AU500404"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chrysoula Kanakaki, Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Bruker 450 GC coupled to maXis Impact"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "GC-APCI-QTOF"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "APCI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "40 eV"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Rxi-5Sil MS column, 30m, 0.25mm i.d., 0.25µm film thickness, Restek"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "17.556 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0255 999"
+ },
+ {
+ "String": "121.0279 93"
+ },
+ {
+ "String": "150.029 61"
+ },
+ {
+ "String": "55.0555 34"
+ },
+ {
+ "String": "81.069 27"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-ba9a71f290621f41a743",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-ba9a71f290621f41a743"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0255:999,121.0279:93,150.029:61,55.0555:34,81.069:27",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0255:999,121.0279:93,150.029:61,55.0555:34,81.069:27"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 56,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU500405",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Athens_Univ-AU500405"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chrysoula Kanakaki, Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Bruker 450 GC coupled to maXis Impact"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "GC-APCI-QTOF"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "APCI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "50 eV"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Rxi-5Sil MS column, 30m, 0.25mm i.d., 0.25µm film thickness, Restek"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "17.559 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0255 999"
+ },
+ {
+ "String": "121.0279 468"
+ },
+ {
+ "String": "55.0547 253"
+ },
+ {
+ "String": "67.0541 168"
+ },
+ {
+ "String": "150.0281 110"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-3900000000-61e0ec9e25f5ac05140b",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-3900000000-61e0ec9e25f5ac05140b"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0255:999,121.0279:468,55.0547:253,67.0541:168,150.0281:110",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0255:999,121.0279:468,55.0547:253,67.0541:168,150.0281:110"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 57,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "MoNA ID",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/JP005814",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "JP005814"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "MS Category",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Experimental"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "MS Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "GC-MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS1"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HITACHI M-80"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149 99.99"
+ },
+ {
+ "String": "150 9.74"
+ },
+ {
+ "String": "223 8.51"
+ },
+ {
+ "String": "205 6.82"
+ },
+ {
+ "String": "160 1.10"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-0002-0910000000-97464fdc3b8040ec3d36%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0910000000-97464fdc3b8040ec3d36"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:99.99,150:9.74,223:8.51,205:6.82,160:1.10",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:99.99,150:9.74,223:8.51,205:6.82,160:1.10"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 95,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY-NC-SA"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "MoNA ID",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/JP006128",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "JP006128"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "MS Category",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Experimental"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "MS Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "GC-MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS1"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HITACHI M-80"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149 99.99"
+ },
+ {
+ "String": "205 52"
+ },
+ {
+ "String": "279 12.39"
+ },
+ {
+ "String": "150 8.71"
+ },
+ {
+ "String": "223 7.11"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-052b-0960000000-7a12a722da333ebed5e0%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-052b-0960000000-7a12a722da333ebed5e0"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:99.99,205:52,279:12.39,150:8.71,223:7.11",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:99.99,205:52,279:12.39,150:8.71,223:7.11"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 96,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY-NC-SA"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "MoNA ID",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/JP008514",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "JP008514"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "MS Category",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Experimental"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "MS Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "GC-MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS1"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HITACHI M-80B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149 99.99"
+ },
+ {
+ "String": "41 14.63"
+ },
+ {
+ "String": "56 9.73"
+ },
+ {
+ "String": "150 9.59"
+ },
+ {
+ "String": "29 8.05"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-0002-5900000000-bb309d93583ab774d1f9%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-5900000000-bb309d93583ab774d1f9"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:99.99,41:14.63,56:9.73,150:9.59,29:8.05",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:99.99,41:14.63,56:9.73,150:9.59,29:8.05"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 97,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY-NC-SA"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 106,
+ "Name": "NIST Number",
+ "Value": {
+ "Number": [
+ 114974
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 106,
+ "Name": "Library",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Main library"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 106,
+ "Name": "Total Peaks",
+ "Value": {
+ "Number": [
+ 45
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 106,
+ "Name": "m/z Top Peak",
+ "Value": {
+ "Number": [
+ 149
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 106,
+ "Name": "m/z 2nd Highest",
+ "Value": {
+ "Number": [
+ 150
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 106,
+ "Name": "m/z 3rd Highest",
+ "Value": {
+ "Number": [
+ 41
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 106,
+ "Name": "Thumbnail",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/143717_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 107,
+ "Name": "NIST Number",
+ "Value": {
+ "Number": [
+ 403895
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 107,
+ "Name": "Library",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Replicate library"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 107,
+ "Name": "Total Peaks",
+ "Value": {
+ "Number": [
+ 43
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 107,
+ "Name": "m/z Top Peak",
+ "Value": {
+ "Number": [
+ 149
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 107,
+ "Name": "m/z 2nd Highest",
+ "Value": {
+ "Number": [
+ 44
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 107,
+ "Name": "m/z 3rd Highest",
+ "Value": {
+ "Number": [
+ 41
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 107,
+ "Name": "Thumbnail",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/271069_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 108,
+ "Name": "NIST Number",
+ "Value": {
+ "Number": [
+ 228847
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 108,
+ "Name": "Library",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Replicate library"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 108,
+ "Name": "Total Peaks",
+ "Value": {
+ "Number": [
+ 66
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 108,
+ "Name": "m/z Top Peak",
+ "Value": {
+ "Number": [
+ 149
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 108,
+ "Name": "m/z 2nd Highest",
+ "Value": {
+ "Number": [
+ 150
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 108,
+ "Name": "m/z 3rd Highest",
+ "Value": {
+ "Number": [
+ 29
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 108,
+ "Name": "Thumbnail",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/271146_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 109,
+ "Name": "NIST Number",
+ "Value": {
+ "Number": [
+ 379567
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 109,
+ "Name": "Library",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Replicate library"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 109,
+ "Name": "Total Peaks",
+ "Value": {
+ "Number": [
+ 48
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 109,
+ "Name": "m/z Top Peak",
+ "Value": {
+ "Number": [
+ 149
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 109,
+ "Name": "m/z 2nd Highest",
+ "Value": {
+ "Number": [
+ 150
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 109,
+ "Name": "m/z 3rd Highest",
+ "Value": {
+ "Number": [
+ 104
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 109,
+ "Name": "Thumbnail",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/271159_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 110,
+ "Name": "NIST Number",
+ "Value": {
+ "Number": [
+ 23124
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 110,
+ "Name": "Library",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Replicate library"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 110,
+ "Name": "Total Peaks",
+ "Value": {
+ "Number": [
+ 69
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 110,
+ "Name": "m/z Top Peak",
+ "Value": {
+ "Number": [
+ 149
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 110,
+ "Name": "m/z 2nd Highest",
+ "Value": {
+ "Number": [
+ 150
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 110,
+ "Name": "m/z 3rd Highest",
+ "Value": {
+ "Number": [
+ 223
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 110,
+ "Name": "Thumbnail",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/271166_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 126,
+ "Name": "Source of Spectrum",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 126,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 126,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/Lf9tmuECvJ3",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4895358_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 127,
+ "Name": "Source of Spectrum",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 127,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 127,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/3hqYbaimyXD",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4895359_1"
+ ],
+ "MimeType": "image/png"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "MS-MS",
+ "Description": "Data from tandem mass spectrometry (MS-MS) experiments.",
+ "URL": "https://goldbook.iupac.org/terms/view/T06250",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 41,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/ms_ms/2226633",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2226633"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 41,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Negative"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 41,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-00b9-1900000000-5f61dc202476afb448ff%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-00b9-1900000000-5f61dc202476afb448ff"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 41,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "127.113 100"
+ },
+ {
+ "String": "121.0297 88.42"
+ },
+ {
+ "String": "134.0375 56.56"
+ },
+ {
+ "String": "147.009 38.30"
+ },
+ {
+ "String": "75.0242 32.18"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 41,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=127.113:100,121.0297:88.42,134.0375:56.56,147.009:38.30,75.0242:32.18",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=127.113:100,121.0297:88.42,134.0375:56.56,147.009:38.30,75.0242:32.18"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 42,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/ms_ms/2226649",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2226649"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 42,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 42,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-00xs-5900000000-b0111121dab010ee6186%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-00xs-5900000000-b0111121dab010ee6186"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 42,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "65.0386 100"
+ },
+ {
+ "String": "149.0235 76.29"
+ },
+ {
+ "String": "121.0286 76.26"
+ },
+ {
+ "String": "121.0397 49.10"
+ },
+ {
+ "String": "93.0336 20.13"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 42,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0386:100,149.0235:76.29,121.0286:76.26,121.0397:49.10,93.0336:20.13",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0386:100,149.0235:76.29,121.0286:76.26,121.0397:49.10,93.0336:20.13"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 43,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/ms_ms/2228055",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2228055"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 43,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 43,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-0002-0900000000-19ad0b11756e1ca9188a%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-19ad0b11756e1ca9188a"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 43,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0238 100"
+ },
+ {
+ "String": "121.029 1.93"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 43,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0238:100,121.029:1.93",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0238:100,121.029:1.93"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 44,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/ms_ms/2228109",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2228109"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 44,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Negative"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 44,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-004i-7900000000-1742961dca6abb554ca5%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-004i-7900000000-1742961dca6abb554ca5"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 44,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "75.0242 100"
+ },
+ {
+ "String": "121.0297 55.64"
+ },
+ {
+ "String": "127.113 36.45"
+ },
+ {
+ "String": "147.009 18.19"
+ },
+ {
+ "String": "103.019 10.15"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 44,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0242:100,121.0297:55.64,127.113:36.45,147.009:18.19,103.019:10.15",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0242:100,121.0297:55.64,127.113:36.45,147.009:18.19,103.019:10.15"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 45,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/ms_ms/2229011",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2229011"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 45,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 45,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-006t-1900000000-cc98c6098ec3e44599d9%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-006t-1900000000-cc98c6098ec3e44599d9"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 45,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0235 100"
+ },
+ {
+ "String": "121.0285 47.13"
+ },
+ {
+ "String": "65.0386 17.13"
+ },
+ {
+ "String": "121.0397 16.46"
+ },
+ {
+ "String": "93.0336 7.46"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 45,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:100,121.0285:47.13,65.0386:17.13,121.0397:16.46,93.0336:7.46",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:100,121.0285:47.13,65.0386:17.13,121.0397:16.46,93.0336:7.46"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 46,
+ "Name": "Spectra ID",
+ "URL": "https://hmdb.ca/spectra/ms_ms/2229022",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2229022"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 46,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Negative"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 46,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query==exists(splash.splash:%27splash10-003r-0900000000-c2813459b6cdd8ee3cf5%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-003r-0900000000-c2813459b6cdd8ee3cf5"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 46,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "134.0375 100"
+ },
+ {
+ "String": "127.113 74.69"
+ },
+ {
+ "String": "121.0297 46.59"
+ },
+ {
+ "String": "147.009 27.03"
+ },
+ {
+ "String": "135.0453 6.29"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 46,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=134.0375:100,127.113:74.69,121.0297:46.59,147.009:27.03,135.0453:6.29",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=134.0375:100,127.113:74.69,121.0297:46.59,147.009:27.03,135.0453:6.29"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "NIST Number",
+ "Value": {
+ "Number": [
+ 1007009
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "IT/ion trap"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "Collision Energy",
+ "Value": {
+ "Number": [
+ 0
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "Spectrum Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "Precursor Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "Precursor m/z",
+ "Value": {
+ "Number": [
+ 279.1591
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "Total Peaks",
+ "Value": {
+ "Number": [
+ 7
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "m/z Top Peak",
+ "Value": {
+ "Number": [
+ 205
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "m/z 2nd Highest",
+ "Value": {
+ "Number": [
+ 149
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "m/z 3rd Highest",
+ "Value": {
+ "Number": [
+ 204
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 111,
+ "Name": "Thumbnail",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/286087_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "NIST Number",
+ "Value": {
+ "Number": [
+ 1098192
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "IT/ion trap"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "Collision Energy",
+ "Value": {
+ "Number": [
+ 0
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "Spectrum Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "Precursor Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "Precursor m/z",
+ "Value": {
+ "Number": [
+ 279.15908
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "Total Peaks",
+ "Value": {
+ "Number": [
+ 10
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "m/z Top Peak",
+ "Value": {
+ "Number": [
+ 204.9
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "m/z 2nd Highest",
+ "Value": {
+ "Number": [
+ 149
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "m/z 3rd Highest",
+ "Value": {
+ "Number": [
+ 167
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 112,
+ "Name": "Thumbnail",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/290211_1"
+ ],
+ "MimeType": "image/png"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "LC-MS",
+ "Description": "Data from liquid chromatography-mass spectrometry (LC-MS) experiments.",
+ "URL": "https://chem.libretexts.org/Bookshelves/General_Chemistry/Book%3A_Structure_and_Reactivity_in_Organic_Biological_and_Inorganic_Chemistry_(Schaller)/II%3A_Practical_Aspects_of_Structure_-_Purification_and_Spectroscopy/06%3A_Introductory_Mass_Spectrometry/6.03%3A_GC-MS_and_LC-MS",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 58,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP019901",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-BGC_Munich-RP019901"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "BGC, Helmholtz Zentrum Muenchen"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "maXis plus UHR-ToF-MS, Bruker Daltonics"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QTOF"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "10"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "BEH C18 1.7um, 2.1x100mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "6.087 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0239 999"
+ },
+ {
+ "String": "205.0855 395"
+ },
+ {
+ "String": "150.0268 108"
+ },
+ {
+ "String": "279.1593 59"
+ },
+ {
+ "String": "206.0891 52"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0940000000-e857bfe583291aa88ab0",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0940000000-e857bfe583291aa88ab0"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0239:999,205.0855:395,150.0268:108,279.1593:59,206.0891:52",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0239:999,205.0855:395,150.0268:108,279.1593:59,206.0891:52"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 58,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP019902",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-BGC_Munich-RP019902"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "BGC, Helmholtz Zentrum Muenchen"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "maXis plus UHR-ToF-MS, Bruker Daltonics"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QTOF"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "20"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "BEH C18 1.7um, 2.1x100mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "6.087 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.024 999"
+ },
+ {
+ "String": "150.0268 126"
+ },
+ {
+ "String": "151.0287 8"
+ },
+ {
+ "String": "121.0285 3"
+ },
+ {
+ "String": "205.0861 2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-eba5b1ff39b235d2ecdd",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-eba5b1ff39b235d2ecdd"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.024:999,150.0268:126,151.0287:8,121.0285:3,205.0861:2",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.024:999,150.0268:126,151.0287:8,121.0285:3,205.0861:2"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 59,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP019903",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-BGC_Munich-RP019903"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "BGC, Helmholtz Zentrum Muenchen"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "maXis plus UHR-ToF-MS, Bruker Daltonics"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QTOF"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "40"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "BEH C18 1.7um, 2.1x100mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "6.087 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0236 999"
+ },
+ {
+ "String": "121.0285 392"
+ },
+ {
+ "String": "93.0329 133"
+ },
+ {
+ "String": "121.0388 88"
+ },
+ {
+ "String": "150.0271 83"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-d8baa517a8d379e2cd72",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-d8baa517a8d379e2cd72"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0236:999,121.0285:392,93.0329:133,121.0388:88,150.0271:83",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0236:999,121.0285:392,93.0329:133,121.0388:88,150.0271:83"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 60,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM822401",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-CASMI_2016-SM822401"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Krauss M, Schymanski EL, Weidauer C, Schupke H, UFZ and Eawag"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "35 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Kinetex C18 EVO 2.6 um, 2.1x50 mm, precolumn 2.1x5 mm, Phenomenex"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.194 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0234 999"
+ },
+ {
+ "String": "205.0861 33"
+ },
+ {
+ "String": "57.0701 27"
+ },
+ {
+ "String": "181.0496 25"
+ },
+ {
+ "String": "163.0391 23"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-0b26194ced4d64df6a2f",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-0b26194ced4d64df6a2f"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0234:999,205.0861:33,57.0701:27,181.0496:25,163.0391:23",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0234:999,205.0861:33,57.0701:27,181.0496:25,163.0391:23"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 61,
+ "Name": "Reference",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Schymanski, E. L.; Ruttkies, C.; Krauss, M.; Brouard, C.; Kind, T.; Dührkop, K.; Allen, F.; Vaniya, A.; Verdegem, D.; Böcker, S.; et al. Critical Assessment of Small Molecule Identification 2016: Automated Methods. Journal of Cheminformatics 2017, 9 (1). DOI:10.1186/s13321-017-0207-1"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367001",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367001"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "15 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "14.2 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0235 999"
+ },
+ {
+ "String": "205.0862 138"
+ },
+ {
+ "String": "57.0699 12"
+ },
+ {
+ "String": "181.0501 2"
+ },
+ {
+ "String": "167.0341 2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0910000000-7702573da14ce44e4e73",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0910000000-7702573da14ce44e4e73"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,205.0862:138,57.0699:12,181.0501:2,167.0341:2",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,205.0862:138,57.0699:12,181.0501:2,167.0341:2"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 62,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367002",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367002"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "30 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "14.2 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0234 999"
+ },
+ {
+ "String": "57.0699 36"
+ },
+ {
+ "String": "205.086 2"
+ },
+ {
+ "String": "181.0499 2"
+ },
+ {
+ "String": "65.0385 2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-78eaf490a7fb4d87b419",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-78eaf490a7fb4d87b419"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0234:999,57.0699:36,205.086:2,181.0499:2,65.0385:2",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0234:999,57.0699:36,205.086:2,181.0499:2,65.0385:2"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 63,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367003",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367003"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "45 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "14.2 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0235 999"
+ },
+ {
+ "String": "57.0699 53"
+ },
+ {
+ "String": "121.0285 9"
+ },
+ {
+ "String": "65.0384 2"
+ },
+ {
+ "String": "167.0343 2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-5c75cf8111466a2bd813",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-5c75cf8111466a2bd813"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,57.0699:53,121.0285:9,65.0384:2,167.0343:2",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,57.0699:53,121.0285:9,65.0384:2,167.0343:2"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 64,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367004",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367004"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "60 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "14.2 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0235 999"
+ },
+ {
+ "String": "121.0285 114"
+ },
+ {
+ "String": "57.0699 49"
+ },
+ {
+ "String": "121.0397 20"
+ },
+ {
+ "String": "65.0386 16"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-a0747aefa385c43d47b1",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-a0747aefa385c43d47b1"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,121.0285:114,57.0699:49,121.0397:20,65.0386:16",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,121.0285:114,57.0699:49,121.0397:20,65.0386:16"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 65,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367005",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367005"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "75 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "14.2 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0235 999"
+ },
+ {
+ "String": "121.0285 470"
+ },
+ {
+ "String": "65.0386 171"
+ },
+ {
+ "String": "121.0397 164"
+ },
+ {
+ "String": "93.0336 74"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-006t-1900000000-29635db4a2da5e62db7f",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-006t-1900000000-29635db4a2da5e62db7f"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,121.0285:470,65.0386:171,121.0397:164,93.0336:74",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,121.0285:470,65.0386:171,121.0397:164,93.0336:74"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 66,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367006",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367006"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "90 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "14.2 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "65.0386 999"
+ },
+ {
+ "String": "149.0235 762"
+ },
+ {
+ "String": "121.0286 761"
+ },
+ {
+ "String": "121.0397 490"
+ },
+ {
+ "String": "93.0336 201"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-00xs-5900000000-02c97dee9727d0badc2e",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-00xs-5900000000-02c97dee9727d0badc2e"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0386:999,149.0235:762,121.0286:761,121.0397:490,93.0336:201",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0386:999,149.0235:762,121.0286:761,121.0397:490,93.0336:201"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 67,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367007",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367007"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "120 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "14.2 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "65.0386 999"
+ },
+ {
+ "String": "121.0398 109"
+ },
+ {
+ "String": "121.0285 70"
+ },
+ {
+ "String": "111.0442 42"
+ },
+ {
+ "String": "93.0336 36"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-014i-9200000000-2b0820b30884f0f997a5",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-014i-9200000000-2b0820b30884f0f997a5"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0386:999,121.0398:109,121.0285:70,111.0442:42,93.0336:36",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0386:999,121.0398:109,121.0285:70,111.0442:42,93.0336:36"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 68,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367008",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367008"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "150 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "14.2 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "65.0386 999"
+ },
+ {
+ "String": "53.0023 82"
+ },
+ {
+ "String": "121.0398 21"
+ },
+ {
+ "String": "53.9975 17"
+ },
+ {
+ "String": "67.9893 16"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-014i-9000000000-5d4f80a8a661596a7cc8",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-014i-9000000000-5d4f80a8a661596a7cc8"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0386:999,53.0023:82,121.0398:21,53.9975:17,67.9893:16",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0386:999,53.0023:82,121.0398:21,53.9975:17,67.9893:16"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 69,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367009",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367009"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "180 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "14.2 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "65.0387 999"
+ },
+ {
+ "String": "53.0023 338"
+ },
+ {
+ "String": "53.9975 76"
+ },
+ {
+ "String": "67.9893 45"
+ },
+ {
+ "String": "74.0152 33"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-014i-9000000000-f45a033b5a30528756de",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-014i-9000000000-f45a033b5a30528756de"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0387:999,53.0023:338,53.9975:76,67.9893:45,74.0152:33",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=65.0387:999,53.0023:338,53.9975:76,67.9893:45,74.0152:33"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 70,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367051",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367051"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NEGATIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "15 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.8 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "277.1445"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M-H]-"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "277.1448 999"
+ },
+ {
+ "String": "134.0375 357"
+ },
+ {
+ "String": "127.113 142"
+ },
+ {
+ "String": "233.155 126"
+ },
+ {
+ "String": "121.0297 109"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-004i-0590000000-d7fd13586fba8d9bcbb8",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-004i-0590000000-d7fd13586fba8d9bcbb8"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=277.1448:999,134.0375:357,127.113:142,233.155:126,121.0297:109",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=277.1448:999,134.0375:357,127.113:142,233.155:126,121.0297:109"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 71,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367052",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367052"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NEGATIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "30 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.8 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "277.1445"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M-H]-"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "134.0375 999"
+ },
+ {
+ "String": "127.113 445"
+ },
+ {
+ "String": "121.0297 265"
+ },
+ {
+ "String": "147.009 136"
+ },
+ {
+ "String": "277.1448 123"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-003r-0900000000-26a0280d411587ad0406",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-003r-0900000000-26a0280d411587ad0406"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=134.0375:999,127.113:445,121.0297:265,147.009:136,277.1448:123",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=134.0375:999,127.113:445,121.0297:265,147.009:136,277.1448:123"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 72,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367053",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367053"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NEGATIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "45 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.8 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "277.1445"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M-H]-"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "134.0375 999"
+ },
+ {
+ "String": "127.113 746"
+ },
+ {
+ "String": "121.0297 465"
+ },
+ {
+ "String": "147.009 270"
+ },
+ {
+ "String": "135.0453 62"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-003r-0900000000-01dec35be5d4cb24d183",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-003r-0900000000-01dec35be5d4cb24d183"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=134.0375:999,127.113:746,121.0297:465,147.009:270,135.0453:62",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=134.0375:999,127.113:746,121.0297:465,147.009:270,135.0453:62"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 73,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367054",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367054"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NEGATIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "60 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.8 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "277.1445"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M-H]-"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "127.113 999"
+ },
+ {
+ "String": "121.0297 883"
+ },
+ {
+ "String": "134.0375 565"
+ },
+ {
+ "String": "147.009 382"
+ },
+ {
+ "String": "75.0242 321"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-00b9-1900000000-0a9f876d83f5cdff62be",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-00b9-1900000000-0a9f876d83f5cdff62be"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=127.113:999,121.0297:883,134.0375:565,147.009:382,75.0242:321",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=127.113:999,121.0297:883,134.0375:565,147.009:382,75.0242:321"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 74,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367055",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367055"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NEGATIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "75 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.8 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "277.1445"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M-H]-"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "75.0242 999"
+ },
+ {
+ "String": "121.0297 555"
+ },
+ {
+ "String": "127.113 364"
+ },
+ {
+ "String": "147.009 181"
+ },
+ {
+ "String": "103.019 101"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-004i-6900000000-88c2bba04cf08d8a94e7",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-004i-6900000000-88c2bba04cf08d8a94e7"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0242:999,121.0297:555,127.113:364,147.009:181,103.019:101",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0242:999,121.0297:555,127.113:364,147.009:181,103.019:101"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 75,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367056",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367056"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NEGATIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "90 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.8 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "277.1445"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M-H]-"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "75.0242 999"
+ },
+ {
+ "String": "121.0297 167"
+ },
+ {
+ "String": "127.113 61"
+ },
+ {
+ "String": "103.0191 40"
+ },
+ {
+ "String": "147.0091 36"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-004i-9300000000-6e11d76c309a036870da",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-004i-9300000000-6e11d76c309a036870da"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0242:999,121.0297:167,127.113:61,103.0191:40,147.0091:36",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0242:999,121.0297:167,127.113:61,103.0191:40,147.0091:36"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 76,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367057",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367057"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NEGATIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "120 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.8 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "277.1445"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M-H]-"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "75.0242 999"
+ },
+ {
+ "String": "121.0295 9"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-004i-9000000000-24ad78f1c73dbed6290d",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-004i-9000000000-24ad78f1c73dbed6290d"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0242:999,121.0295:9,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0242:999,121.0295:9,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 77,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367058",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367058"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NEGATIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "150 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.8 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "277.1445"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M-H]-"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "75.0241 999"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-004i-9000000000-2d5177b1586a4461b278",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-004i-9000000000-2d5177b1586a4461b278"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0241:999,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0241:999,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 78,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ367059",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Eawag-EQ367059"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Plus Orbitrap Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NEGATIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "180 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "XBridge C18 3.5um, 2.1x50mm, Waters"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "13.8 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "277.1445"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M-H]-"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "75.0242 999"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-004i-9000000000-4516fb7c10721dc8cedb",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-004i-9000000000-4516fb7c10721dc8cedb"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0242:999,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=75.0242:999,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 79,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU082301",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-LCSB-LU082301"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; Singh, R.; Schymanski, E."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Orbitrap (Thermo Scientific)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "15"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Acquity BEH C18 1.7um, 2.1x150mm (Waters)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "19.209 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0236 999"
+ },
+ {
+ "String": "223.0753 290"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0920000000-384169892674729efd42",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0920000000-384169892674729efd42"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0236:999,223.0753:290,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0236:999,223.0753:290,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 85,
+ "Name": "Reference",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; et al., Adding Open Spectral Data to MassBank and PubChem Using Open Source Tools to Support Non-Targeted Exposomics of Mixtures (submitted)."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU082302",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-LCSB-LU082302"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; Singh, R.; Schymanski, E."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Orbitrap (Thermo Scientific)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "30"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Acquity BEH C18 1.7um, 2.1x150mm (Waters)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "19.209 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0235 999"
+ },
+ {
+ "String": "223.0758 516"
+ },
+ {
+ "String": "167.0855 140"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-006t-0940000000-ad31021797ef15291865",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-006t-0940000000-ad31021797ef15291865"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,223.0758:516,167.0855:140,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,223.0758:516,167.0855:140,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 86,
+ "Name": "Reference",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; et al., Adding Open Spectral Data to MassBank and PubChem Using Open Source Tools to Support Non-Targeted Exposomics of Mixtures (submitted)."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU082303",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-LCSB-LU082303"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; Singh, R.; Schymanski, E."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Orbitrap (Thermo Scientific)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "45"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Acquity BEH C18 1.7um, 2.1x150mm (Waters)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "19.209 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0234 999"
+ },
+ {
+ "String": "167.0855 482"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-cebcca73dfa825b2350c",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-cebcca73dfa825b2350c"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0234:999,167.0855:482,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0234:999,167.0855:482,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 87,
+ "Name": "Reference",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; et al., Adding Open Spectral Data to MassBank and PubChem Using Open Source Tools to Support Non-Targeted Exposomics of Mixtures (submitted)."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU082304",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-LCSB-LU082304"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; Singh, R.; Schymanski, E."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Orbitrap (Thermo Scientific)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "60"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Acquity BEH C18 1.7um, 2.1x150mm (Waters)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "19.209 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0235 999"
+ },
+ {
+ "String": "165.0697 255"
+ },
+ {
+ "String": "167.0859 239"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-42efc52ba79c04a09dc0",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-42efc52ba79c04a09dc0"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,165.0697:255,167.0859:239,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0235:999,165.0697:255,167.0859:239,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 88,
+ "Name": "Reference",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; et al., Adding Open Spectral Data to MassBank and PubChem Using Open Source Tools to Support Non-Targeted Exposomics of Mixtures (submitted)."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU082305",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-LCSB-LU082305"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; Singh, R.; Schymanski, E."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Orbitrap (Thermo Scientific)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "75"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Acquity BEH C18 1.7um, 2.1x150mm (Waters)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "19.209 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0234 999"
+ },
+ {
+ "String": "165.07 422"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-b46cf483887ffe16ffc4",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-b46cf483887ffe16ffc4"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0234:999,165.07:422,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0234:999,165.07:422,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 89,
+ "Name": "Reference",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; et al., Adding Open Spectral Data to MassBank and PubChem Using Open Source Tools to Support Non-Targeted Exposomics of Mixtures (submitted)."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU082306",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-LCSB-LU082306"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; Singh, R.; Schymanski, E."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Q Exactive Orbitrap (Thermo Scientific)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-QFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "90"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Acquity BEH C18 1.7um, 2.1x150mm (Waters)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "19.148 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "95.0492 999"
+ },
+ {
+ "String": "53.0387 427"
+ },
+ {
+ "String": "91.0544 410"
+ },
+ {
+ "String": "178.0778 382"
+ },
+ {
+ "String": "128.062 300"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-002b-9800000000-b81075221fc6e8060665",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-002b-9800000000-b81075221fc6e8060665"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=95.0492:999,53.0387:427,91.0544:410,178.0778:382,128.062:300",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=95.0492:999,53.0387:427,91.0544:410,178.0778:382,128.062:300"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 90,
+ "Name": "Reference",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Elapavalore, A.; Kondić, T.; et al., Adding Open Spectral Data to MassBank and PubChem Using Open Source Tools to Support Non-Targeted Exposomics of Mixtures (submitted)."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF418001",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-UFZ-UF418001"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LTQ Orbitrap XL Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-ITFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "55 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "27.060 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0238 999"
+ },
+ {
+ "String": "121.029 19"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-19ad0b11756e1ca9188a",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-19ad0b11756e1ca9188a"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0238:999,121.029:19,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0238:999,121.029:19,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 91,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF418002",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-UFZ-UF418002"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LTQ Orbitrap XL Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-ITFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "80 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HCD"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "27.060 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0239 999"
+ },
+ {
+ "String": "121.0288 411"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0900000000-c218819436377fba26c9",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-c218819436377fba26c9"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0239:999,121.0288:411,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0239:999,121.0288:411,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 92,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF418003",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-UFZ-UF418003"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LTQ Orbitrap XL Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-ITFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "35 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "27.060 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0239 999"
+ },
+ {
+ "String": "205.0867 361"
+ },
+ {
+ "String": "203.06 32"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0930000000-3ffd578a63631650756a",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0930000000-3ffd578a63631650756a"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0239:999,205.0867:361,203.06:32,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0239:999,205.0867:361,203.06:32,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 93,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF418004",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-UFZ-UF418004"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LTQ Orbitrap XL Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-ITFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "55 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Fragmentation Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Column Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "27.060 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Precursor Adduct",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0238 999"
+ },
+ {
+ "String": "205.0867 297"
+ },
+ {
+ "String": "203.0598 34"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0920000000-f84bcb5ebbad7fcd0a80",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0920000000-f84bcb5ebbad7fcd0a80"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0238:999,205.0867:297,203.0598:34,",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0238:999,205.0867:297,203.0598:34,"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 94,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "MoNA ID",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/UF418004",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "UF418004"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "MS Category",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Experimental"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "MS Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "Precursor Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LTQ Orbitrap XL Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-ITFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "55 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "27.060 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0238 100"
+ },
+ {
+ "String": "205.0867 29.82"
+ },
+ {
+ "String": "203.0598 3.47"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-0002-0920000000-f84bcb5ebbad7fcd0a80%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0920000000-f84bcb5ebbad7fcd0a80"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0238:100,205.0867:29.82,203.0598:3.47",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0238:100,205.0867:29.82,203.0598:3.47"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 98,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "MoNA ID",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/UF418003",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "UF418003"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "MS Category",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Experimental"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "MS Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "Precursor Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LTQ Orbitrap XL Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-ITFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "35 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "27.060 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0239 100"
+ },
+ {
+ "String": "205.0867 36.24"
+ },
+ {
+ "String": "203.06 3.25"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-0002-0930000000-3ffd578a63631650756a%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0930000000-3ffd578a63631650756a"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0239:100,205.0867:36.24,203.06:3.25",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0239:100,205.0867:36.24,203.06:3.25"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 99,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "MoNA ID",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/display/UF418002",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "UF418002"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "MS Category",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Experimental"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "MS Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "Precursor Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "[M+H]+"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "Precursor m/z",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "279.1591"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LTQ Orbitrap XL Thermo Scientific"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC-ESI-ITFT"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ESI"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "positive"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "Collision Energy",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "80 (nominal)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "Retention Time",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "27.060 min"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149.0239 100"
+ },
+ {
+ "String": "121.0288 41.15"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "SPLASH",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(splash.splash:%27splash10-0002-0900000000-c218819436377fba26c9%27)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0900000000-c218819436377fba26c9"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0239:100,121.0288:41.15",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149.0239:100,121.0288:41.15"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 100,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Other MS",
+ "Description": "This section provides this compound's mass spectrometry (MS) information that is not shown in other sections.",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V1: 812"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MASS: 26524 (NIST/EPA/MSDC Mass Spectral database, 1990 version)",
+ "Markup": [
+ {
+ "Start": 22,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/MSDC",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-131526"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 80,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP001700",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Fac_Eng_Univ_Tokyo-JP001700"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 80,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 80,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Unknown"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 80,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 80,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 80,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 80,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "205 999"
+ },
+ {
+ "String": "149 758"
+ },
+ {
+ "String": "279 608"
+ },
+ {
+ "String": "206 122"
+ },
+ {
+ "String": "280 107"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 80,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0a6s-0490000000-bb10c8ff49d65e9fbcfd",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0a6s-0490000000-bb10c8ff49d65e9fbcfd"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 80,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=205:999,149:758,279:608,206:122,280:107",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=205:999,149:758,279:608,206:122,280:107"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 80,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY-NC-SA"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003306",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Fac_Eng_Univ_Tokyo-JP003306"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "JEOL JMS-01-SG-2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ENERGY 75 eV"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149 999"
+ },
+ {
+ "String": "205 116"
+ },
+ {
+ "String": "150 110"
+ },
+ {
+ "String": "56 73"
+ },
+ {
+ "String": "55 68"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-1910000000-964b3411de1f914de4da",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-1910000000-964b3411de1f914de4da"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:999,205:116,150:110,56:73,55:68",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:999,205:116,150:110,56:73,55:68"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 81,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY-NC-SA"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005814",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Fac_Eng_Univ_Tokyo-JP005814"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HASHIMOTO K, KYOTO COLLEGE OF PHARMACY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HITACHI M-80"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ENERGY 20 eV"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149 999"
+ },
+ {
+ "String": "150 97"
+ },
+ {
+ "String": "223 85"
+ },
+ {
+ "String": "205 68"
+ },
+ {
+ "String": "160 11"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-0910000000-97464fdc3b8040ec3d36",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-0910000000-97464fdc3b8040ec3d36"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:999,150:97,223:85,205:68,160:11",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:999,150:97,223:85,205:68,160:11"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 82,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY-NC-SA"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP006128",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Fac_Eng_Univ_Tokyo-JP006128"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HASHIMOTO K, KYOTO COLLEGE OF PHARMACY"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HITACHI M-80"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ENERGY 100 eV"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149 999"
+ },
+ {
+ "String": "205 520"
+ },
+ {
+ "String": "279 124"
+ },
+ {
+ "String": "150 87"
+ },
+ {
+ "String": "223 71"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-052b-0960000000-7a12a722da333ebed5e0",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-052b-0960000000-7a12a722da333ebed5e0"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:999,205:520,279:124,150:87,223:71",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:999,205:520,279:124,150:87,223:71"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 83,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY-NC-SA"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "Accession ID",
+ "URL": "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP008514",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MSBNK-Fac_Eng_Univ_Tokyo-JP008514"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "Authors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "SODA AROMATIC CO., LTD."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "Instrument",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "HITACHI M-80B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "Instrument Type",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EI-B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "MS Level",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "Ionization Mode",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "POSITIVE"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "Ionization",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ENERGY 70 eV"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "Top 5 Peaks",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "149 999"
+ },
+ {
+ "String": "41 146"
+ },
+ {
+ "String": "56 97"
+ },
+ {
+ "String": "150 96"
+ },
+ {
+ "String": "29 81"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "SPLASH",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?splash=splash10-0002-5900000000-bb309d93583ab774d1f9",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "splash10-0002-5900000000-bb309d93583ab774d1f9"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "Thumbnail",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:999,41:146,56:97,150:96,29:81",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/image/ms.cgi?peaks=149:999,41:146,56:97,150:96,29:81"
+ ],
+ "MimeType": "image/svg"
+ }
+ },
+ {
+ "ReferenceNumber": 84,
+ "Name": "License",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CC BY-NC-SA"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "UV Spectra",
+ "Description": "Ultraviolet (UV) spectroscopy (or Spectrophotometry) is an analytical technique used to measure how much a molecule absorbs light in the ultraviolet spectral region. This technique is particularly useful to study aromatic, conjugated, and other substances containing a pi bond. Modern ultraviolet spectrophotometers also cover the visible light range, in which case the technique is called ultraviolet-visible (UV-Vis) spectroscopy.",
+ "URL": "https://chem.libretexts.org/Courses/Brevard_College/CHE_202%3A_Organic_Chemistry_II/05%3A_Structural__Determination_I/5.05%3A_Ultraviolet_and_visible_spectroscopy",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-436"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MAX ABSORPTION (ALCOHOL): 226 NM (LOG E= 3.98); 272 NM (LOG E= 3.18)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NIST; Chemistry WebBook. National Institute of Standards and Technology Standard Reference Database Number 69 - March 2003 Release, Available from the query page at https://webbook.nist.gov/chemistry"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "UV maximum (nm): >315 (log epsilon = 2.7)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NRCC; Phthalate Esters in the Aquatic Environment. No. 17583. Ottawa, Ontario Canada: National Research Council Canada. Sci Crit Envrion Qual. p. 31 (1980)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "UV max methanol (nm); 225 (log epsilon = 3.92); 274 (log epsilon = 3.10)",
+ "Markup": [
+ {
+ "Start": 7,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/methanol",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-887"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V1: 812"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "UV: 529 (Sadtler Research Laboratories Spectral Collection)"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "IR Spectra",
+ "Description": "Infrared spectroscopy (IR spectroscopy) is the spectroscopy that deals with the infrared region of the electromagnetic spectrum extending from 780 nm to about 20000 nm. The IR spectra tells you what types of vibrational mode (motion) responses occur in a molecule interacting with infrared light. It is used to help determine the functional groups in a molecule.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Spectroscopy/Vibrational_Spectroscopy/Infrared_Spectroscopy",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V1: 812"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "IR: 1902 (Sadtler Research Laboratories Prism Collection)"
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "FTIR Spectra",
+ "Description": "Fourier transform infrared spectroscopy (FTIR) results for this chemical.",
+ "URL": "https://chem.libretexts.org/Courses/Howard_University/Howard%3A_Physical_Chemistry_Laboratory/14._Fourier_Transform_Infrared_Spectroscopy_(FTIR)",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 128,
+ "Name": "Technique",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "BETWEEN SALTS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 128,
+ "Name": "Source of Sample",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Wallace & Tiernan, Inc., Harchem Division"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 128,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 128,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/Byzv9mminOe",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4895361_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 129,
+ "Name": "Technique",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "BETWEEN SALTS (NEAT)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 129,
+ "Name": "Source of Sample",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Union Camp Corporation"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 129,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 129,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/K5TaXttqXWh",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4895362_1"
+ ],
+ "MimeType": "image/png"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "ATR-IR Spectra",
+ "Description": "Attenuated total reflection infrared (ATR-IR) spectral data. ATR is a sampling technique that enables samples to be examined directly in the solid or liquid state without further preparation. ATR-IR can be applied to the same chemical or biological systems as the transmission IR. An advantage of ATR-IR over the transmission IR is the limited path length into the sample, because ATR-IR avoids the problem of strong attenuation of the IR signal in highly absorbing media such as aqueous solutions.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Analytical_Chemistry/Supplemental_Modules_(Analytical_Chemistry)/Instrumental_Analysis/Spectrometer/ATR-FTIR",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 130,
+ "Name": "Instrument Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Bio-Rad FTS"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 130,
+ "Name": "Technique",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ATR-Neat (DurasamplIR II)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 130,
+ "Name": "Source of Spectrum",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Forensic Spectral Research"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 130,
+ "Name": "Source of Sample",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Scientific Polymer Products, Inc."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 130,
+ "Name": "Catalog Number",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "P-193"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 130,
+ "Name": "Lot Number",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "680901001"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 130,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 130,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/L16hYvm4Krd",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4895363_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 135,
+ "Name": "Technique",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ATR-Neat"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 135,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 135,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/3gtatMDlEna",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4895372_1"
+ ],
+ "MimeType": "image/png"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Near IR Spectra",
+ "Description": "Near infrared (NIR) spectroscopy is a spectroscopic method that uses the near-infrared region of the electromagnetic spectrum (from 780 nm to 2500 nm).",
+ "URL": "https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Spectroscopy/Vibrational_Spectroscopy/Infrared_Spectroscopy/Infrared_Spectroscopy",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 136,
+ "Name": "Instrument Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "INSTRUMENT PARAMETERS=INST=BRUKER,RSN=9351,REO=2,CNM=HEI,ZFF=2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 136,
+ "Name": "Technique",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NIR\u000ASpectrometer= BRUKER IFS 88"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 136,
+ "Name": "Source of Spectrum",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Prof. Buback, University of Goettingen, Germany"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 136,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 136,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/GcSCRIbBTPW",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/10357797_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 137,
+ "Name": "Instrument Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "INSTRUMENT PARAMETERS=INST=BRUKER,RSN=9351,REO=2,CNM=HEI,ZFF=2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 137,
+ "Name": "Technique",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NIR\u000ASpectrometer= BRUKER IFS 88"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 137,
+ "Name": "Source of Spectrum",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Prof. Buback, University of Goettingen, Germany"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 137,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 137,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/Fl22jrgd6SS",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/10357798_1"
+ ],
+ "MimeType": "image/png"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Vapor Phase IR Spectra",
+ "Description": "Infrared (IR) spectral data recorded in the vapor phase (gas) of this chemical.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Physical_and_Theoretical_Chemistry_Textbook_Maps/Supplemental_Modules_(Physical_and_Theoretical_Chemistry)/Spectroscopy/Vibrational_Spectroscopy/Infrared_Spectroscopy",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 131,
+ "Name": "Instrument Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "DIGILAB FTS-14"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 131,
+ "Name": "Technique",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Vapor Phase"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 131,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 131,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/LDMqme2SPI",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4895367_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 141,
+ "Name": "Source of Spectrum",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Sigma-Aldrich Co. LLC."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 141,
+ "Name": "Source of Sample",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Sigma-Aldrich Co. LLC."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 141,
+ "Name": "Catalog Number",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "152439"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 141,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 141,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/GZNXMCgysCe",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/13601500_1"
+ ],
+ "MimeType": "image/png"
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Raman Spectra",
+ "Description": "Raman spectroscopy is a spectroscopic technique typically used to study vibrational modes of a molecular system, although it can also be used to observe rotational and other low-frequency modes of the system. Raman spectroscopy is based on inelastic scattering of photons, known as Raman scattering.",
+ "URL": "https://chem.libretexts.org/Bookshelves/Analytical_Chemistry/Map%3A_Principles_of_Instrumental_Analysis_(Skoog_et_al.)/18%3A_Raman_Spectroscopy",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V1: 812"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Raman: 80 (Sadtler Research Laboratories Spectral Collection)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 134,
+ "Name": "Instrument Name",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Bio-Rad FTS 175C with Raman accessory"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 134,
+ "Name": "Technique",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "FT-Raman"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 134,
+ "Name": "Source of Sample",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Union Camp Corporation"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 134,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 134,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/KsuPWW8QSki",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/4895370_1"
+ ],
+ "MimeType": "image/png"
+ }
+ },
+ {
+ "ReferenceNumber": 139,
+ "Name": "Catalog Number",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "152439"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 139,
+ "Name": "Copyright",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 139,
+ "Name": "Thumbnail",
+ "URL": "https://spectrabase.com/spectrum/89tQfV8SEDW",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/10357848_1"
+ ],
+ "MimeType": "image/png"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Other Spectra",
+ "Description": "Spectral information for this compound that is not shown in other sections.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-436"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "SADTLER REFERENCE NUMBER: 285 (IR, GRATING)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Hites, R.A. Handbook of Mass Spectra of Environmental Contaminants. Boca Raton, FL: CRC Press Inc., 1985., p. 23"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Intense mass spectral peaks: 149 m/z (100%), 86 m/z (18%), 57 m/z (18%), 223 m/z (17%)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Pfleger, K., H. Maurer and A. Weber. Mass Spectral and GC Data of Drugs, Poisons and their Metabolites. Parts I and II. Mass Spectra Indexes. Weinheim, Federal Republic of Germany. 1985., p. 474"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Intense mass spectral peaks: 205 m/z, 222 m/z, 278 m/z"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Related Records",
+ "Description": "Records related to this compound. This includes PubChem compound and substance records, as well as records in NCBI resources (e.g., PubMed, Gene, Protein Structure, and Taxonomy) and other databases external to NCBI.",
+ "Section": [
+ {
+ "TOCHeading": "Related Compounds with Annotation",
+ "Description": "Compound records that are closely related to this record AND that have biomedical annotations. In essence, they are a subset of the compounds included in the \"Related Compounds\" section below this section. The \"Related Compounds\" include the parent, components, mixtures, and salt forms of this compound record as well as the \"similar compounds\" and \"similar conformers\", which are structurally similar to this record in terms of 2-D and 3-D chemical structure similarity measures, respectively, as explained in Kim et al., J. Cheminform. 2016, 8, 62.",
+ "URL": "https://doi.org/10.1186/s13321-016-0163-1",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "Boolean": [
+ true
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Related Compounds",
+ "Description": "Compound records closely related to this record. It includes compounds which are the parent, components, mixtures, and salt forms of this compound record. It also includes the \"similar compounds\" and \"similar conformers\", which are structurally similar to this record in terms of 2-D and 3-D chemical structure similarity measures, respectively, as explained in Kim et al., J. Cheminform. 2016, 8, 62.",
+ "URL": "https://doi.org/10.1186/s13321-016-0163-1",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 1
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Name": "Same Connectivity Count",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3026/cids/JSON?cids_type=same_connectivity&list_return=redirect",
+ "Value": {
+ "Number": [
+ 7
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "Same Parent, Connectivity Count",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3026/cids/JSON?cids_type=same_parent_connectivity&list_return=redirect",
+ "Value": {
+ "Number": [
+ 87
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "Same Parent, Exact Count",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3026/cids/JSON?cids_type=same_parent&list_return=redirect",
+ "Value": {
+ "Number": [
+ 81
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "Mixtures, Components, and Neutralized Forms Count",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3026/cids/JSON?cids_type=component&list_return=redirect",
+ "Value": {
+ "Number": [
+ 235
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "Similar Compounds Count",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3026/cids/JSON?cids_type=similar_2d&list_return=redirect",
+ "Value": {
+ "Number": [
+ 10369
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "Similar Conformers Count",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3026/cids/JSON?cids_type=similar_3d&list_return=redirect",
+ "Value": {
+ "Number": [
+ 116
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Substances",
+ "Description": "Substance records associated with this compound. In PubChem, the term \"substance\" refers to depositor-provided data for a chemical..",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/substances",
+ "Section": [
+ {
+ "TOCHeading": "PubChem Reference Collection SID",
+ "Description": "Substances from the special PubChem Reference Collection associated with this compound.",
+ "DisplayControls": {
+ "MoveToTop": true
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/481107082",
+ "Value": {
+ "Number": [
+ 481107082
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Related Substances",
+ "Description": "Substance records related to this compound (e.g., the standardized chemical structures of these substances are the same as this compound or correspond to a mixture containing this compound as a component).",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 1
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Name": "All Count",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3026/sids/JSON?sids_type=all&list_return=redirect",
+ "Value": {
+ "Number": [
+ 578
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "Same Count",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3026/sids/JSON?sids_type=standardized&list_return=redirect",
+ "Value": {
+ "Number": [
+ 251
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "Mixture Count",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3026/sids/JSON?sids_type=component&list_return=redirect",
+ "Value": {
+ "Number": [
+ 327
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Substances by Category",
+ "Description": "Substances associated with this compound, grouped by the category of the data sources who submitted the substances to PubChem (e.g., government organizations, chemical vendors, research and development, curation efforts, NIH initiatives, etc.).",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chemical Vendors"
+ },
+ {
+ "String": "Curation Efforts"
+ },
+ {
+ "String": "Governmental Organizations"
+ },
+ {
+ "String": "Journal Publishers"
+ },
+ {
+ "String": "Legacy Depositors"
+ },
+ {
+ "String": "NIH Initiatives"
+ },
+ {
+ "String": "Research and Development"
+ },
+ {
+ "String": "Subscription Services"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Entrez Crosslinks",
+ "Description": "Cross-references to associated records in other Entrez databases such as PubMed, Gene, Protein, etc.",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 1
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Name": "PubMed Count",
+ "URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_pubmed&db=pccompound&cmd=Link&from_uid=3026",
+ "Value": {
+ "Number": [
+ 1041
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "Protein Structures Count",
+ "URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_structure&db=pccompound&cmd=Link&from_uid=3026",
+ "Value": {
+ "Number": [
+ 1
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "Taxonomy Count",
+ "URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_taxonomy&db=pccompound&cmd=Link&from_uid=3026",
+ "Value": {
+ "Number": [
+ 16
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "OMIM Count",
+ "URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_omim&db=pccompound&cmd=Link&from_uid=3026",
+ "Value": {
+ "Number": [
+ 9
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Name": "Gene Count",
+ "URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_gene&db=pccompound&cmd=Link&from_uid=3026",
+ "Value": {
+ "Number": [
+ 6030
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Associated Chemicals",
+ "Description": "Chemicals related to this compound, according to the Hazardous Substances Data Bank (HSDB). It includes stereoisomers (e.g., enantiomers, cis-trans isomers), salt forms, mixtures, and structural analogues, etc.",
+ "URL": "https://www.nlm.nih.gov/databases/download/hsdb.html",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1,2-Benzenedicarboxylic acid, monobutyl ester; 131-70-4",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 45,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/1%2C2-Benzenedicarboxylic%20acid%2C%20monobutyl%20ester",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 47,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/131-70-4",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "NCBI LinkOut",
+ "Description": "NCBI LinkOut is a service that allows one to link directly from NCBI databases to a wide range of information and services beyond NCBI systems.",
+ "URL": "https://www.ncbi.nlm.nih.gov/projects/linkout/",
+ "Information": [
+ {
+ "ReferenceNumber": 185,
+ "Value": {
+ "Boolean": [
+ true
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical Vendors",
+ "Description": "A list of chemical vendors that sell this compound. Note that the order of chemical vendors on the list is randomized, and that PubChem do not endorse any of the vendors. Each vendor may have multiple products containing the same chemical, but different in various aspects, such as amount and purity. For each product, the external identifier used to locate the product on the vendor's website is provided under the Purchasable Chemical column, and clicking this identifier directs you to the vendor's website. The information on the product provided by the vendor to PubChem can be accessed at the Summary page of the corresponding PubChem Substance ID (SID). ",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "Boolean": [
+ true
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Drug and Medication Information",
+ "Description": "This section provides drug and medication information for this compound, including drug indications, labeling, clinical trials, idiosyncrasies, tolerance, reported fatal doses, etc.",
+ "Section": [
+ {
+ "TOCHeading": "Therapeutic Uses",
+ "Description": "Therapeutic uses information for this compound, provided by the Hazardous Substances Data Bank (HSDB).",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "PMID:11525158",
+ "Tilak R et al; Indian J Med Res 113: 98-102 (2001)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Scrub typhus, a rickettsial disease transmitted by larvae of Leptotrombidium deliense, is of special importance to the Armed Forces personnel, due to the heightened risk to this disease during movement in mite endemic areas during exercise/war. The disease is best prevented by the use of personal protective measures including repellents. Studies were undertaken to determine the relative efficacy of repellents: diethyl toulamide (DEET), dibutyl phthalate (DBP) with an indigenously developed repellent diethyl phenyl acetamide (DEPA) against the larval trombiculid mite. The repellents were tested for persistence on impregnated cloth prior to washing, post washing and ironing by means of a specially fabricated testing kit. Acaricidal efficacy estimation was performed on the treated fabrics and topical application efficacy of repellents on mice was evaluated by a novel animal testing model. DEET and DEPA were found to provide maximum protection (repellence and acaricidal efficacy), could withstand two launderings of the impregnated uniform and also had superior efficacy on topical application (8 h). Ironing was found to significantly reduce the repellence of DEET and DBP. The findings of this study point towards the superiority of DEPA and DEET for impregnation of the uniform cloth as well as for topical application for the prevention of scrub typhus amongst the troops.",
+ "Markup": [
+ {
+ "Start": 433,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DEET",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-4284"
+ },
+ {
+ "Start": 440,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 505,
+ "Length": 24,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diethyl-phenyl-acetamide",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-54146949"
+ },
+ {
+ "Start": 899,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DEET",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-4284"
+ },
+ {
+ "Start": 1172,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DEET",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-4284"
+ },
+ {
+ "Start": 1255,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DEET",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-4284"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Food Additives and Ingredients",
+ "Description": "This section provides information on chemicals found in food (e.g., food additives, flavoring and coloring agents).",
+ "Section": [
+ {
+ "TOCHeading": "Associated Foods",
+ "Description": "This section provides the related foods that contain the compound as an ingredient, flavor, or other aspects.",
+ "DisplayControls": {
+ "ListType": "Columns"
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 28,
+ "Value": {
+ "ExternalTableName": "collection=consolidatedcompoundtaxonomy&view=concise_cid_food&srccmpdkind='Food Compound'"
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Pharmacology and Biochemistry",
+ "Description": "Pharmacology and biochemistry information related to this compound, including the pharmacodynamics, pharmacokinetics, metabolism, mechanism of action, biological half-life, biochemical reactions, and many others.",
+ "Section": [
+ {
+ "TOCHeading": "MeSH Pharmacological Classification",
+ "Description": "Pharmacological action classes from the Medical Subject Headings (MeSH) thesaurus.",
+ "URL": "https://meshb.nlm.nih.gov/record/ui?ui=D020228",
+ "Information": [
+ {
+ "ReferenceNumber": 183,
+ "Name": "Plasticizers",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Materials incorporated mechanically in plastics (usually PVC) to increase flexibility, workability or distensibility; due to the non-chemical inclusion, plasticizers leach out from the plastic and are found in body fluids and the general environment. (See all compounds classified as Plasticizers.)",
+ "Markup": [
+ {
+ "Start": 256,
+ "Length": 40,
+ "URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?Db=pccompound&DbFrom=mesh&Cmd=Link&LinkName=mesh_pccompound&IdsFromResult=68010968"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "ATC Code",
+ "Description": "The Anatomical Therapeutic Chemical (ATC) Classification System is used for the classification of drugs. This pharmaceutical coding system divides drugs into different groups according to the organ or system on which they act and/or their therapeutic and chemical characteristics. Each bottom-level ATC code stands for a pharmaceutically used substance, or a combination of substances, in a single indication (or use). This means that one drug can have more than one code: acetylsalicylic acid (aspirin), for example, has A01AD05 as a drug for local oral treatment, B01AC06 as a platelet inhibitor, and N02BA01 as an analgesic and antipyretic. On the other hand, several different brands share the same code if they have the same active substance and indications.",
+ "URL": "https://www.whocc.no/atc/structure_and_principles/",
+ "Information": [
+ {
+ "ReferenceNumber": 151,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "P - Antiparasitic products, insecticides and repellents",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://www.whocc.no/atc_ddd_index/?code=P"
+ }
+ ]
+ },
+ {
+ "String": "P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 3,
+ "URL": "https://www.whocc.no/atc_ddd_index/?code=P03"
+ }
+ ]
+ },
+ {
+ "String": "P03B - Insecticides and repellents",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 4,
+ "URL": "https://www.whocc.no/atc_ddd_index/?code=P03B"
+ }
+ ]
+ },
+ {
+ "String": "P03BX - Other insecticides and repellents",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 5,
+ "URL": "https://www.whocc.no/atc_ddd_index/?code=P03BX"
+ }
+ ]
+ },
+ {
+ "String": "P03BX03 - Dibutylphthalate",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 7,
+ "URL": "https://www.whocc.no/atc_ddd_index/?code=P03BX03"
+ },
+ {
+ "Start": 10,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutylphthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Absorption, Distribution and Excretion",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "IOKU ET AL; OSAKA FURITSU KOSHU EISEI KENKYUSHO KENKYU HOKOKU, YAKUJI SHIDO HEN 10: 57 (1976)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate administered orally to rats and mice /was/ rapidly absorbed and excreted in urine and feces within 48 hr. Max concentrations in blood /SRP: not DBP itself but a metabolite/ plasma & various organs /occurred/ at 20-30 min; /concentrations were/ greater in liver than fat and spleen.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "IOKU ET AL; OSAKA FURITSU KOSHU EISEI KENKYUSHO KENKYU HOKOKU, YAKUJI SHIDO HEN 10: 57 (1976)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate given orally to rats was excreted in urine 30.6-43.5% and in feces 20.0-22.0% in 24 hr. Amounts absorbed by fetuses were approximately /the/ same as by fat tissues.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA/ECAO; Phthalate Atlas Report p.IV-2 (1980)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate was detected in the bile of rats after oral administration. ... A small part of the dose was absorbed intact through the intestine.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA/ECAO; Phthalate Atlas Report p.IV-2 (1980)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The presence of phthalate esters in the blood of individuals /who had/ ingested food /that/ had been in contact with flexible plastics ... dibutyl phthalate levels detected in the blood were much higher than prior to eating the food in the plastic packaging system ... dibutyl phthalate levels in blood /were/ 0.35 ppm ... compared to an average value of 0.02 ppm prior to the meals.",
+ "Markup": [
+ {
+ "Start": 139,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 269,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Absorption, Distribution and Excretion (Complete) data for DIBUTYL PHTHALATE (25 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 115,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Absorption-Distribution-and-Excretion-(Complete)"
+ },
+ {
+ "Start": 68,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Metabolism/Metabolites",
+ "Description": "Metabolites are substances made or used when the body breaks down food, drugs or chemicals, or its own tissue (for example, fat or muscle tissue). This process is called metabolism and makes energy and the materials needed for growth, reproduction, and maintaining health. Metabolism also helps get rid of toxic substances.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "PMID:22820759",
+ "Koch HM et al; Arch Toxicol. 86 (12): 1829-39 (2012)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "An individual (male, 36 years, 87 kg) ingested two separate doses of di-n-butyl phthalate (DnBP) and diisobutyl phthalate (DiBP) at a rate of approximately 60 ug/kg. Key monoester and oxidized metabolites were identified and quantified in urine continuously collected until 48 hr post-dose. For both DnBP and DiBP, the majority of the dose was excreted in the first 24 hr (92.2 % of DnBP, 90.3 % of DiBP), while only <1 % of the dose was excreted in urine on day 2. In each case, the simple monoesters were the major metabolites (MnBP, 84 %; MiBP, 71 %). For DnBP, approximately 8 % was excreted as various side chain oxidized metabolites. For DiBP, approximately 20 % was excreted mainly as the oxidized side chain metabolite 2OH-MiBP, indicating that the extent of oxidative modification is around 2.5 times higher for DiBP than for DnBP. All DnBP and DiBP metabolites reached peak concentrations between 2 and 4 hr post-exposure, followed by a monotonic decline. For DnBP metabolites, the elimination halftime of MnBP was 2.6 hr; longer elimination halftimes were estimated for the oxidized metabolites (2.9-6.9 hr). For DiBP metabolites, MiBP had the shortest halftime (3.9 hr), and the oxidized metabolites had somewhat longer halftimes (4.1 and 4.2 hr). Together with the simple monoesters, secondary oxidized metabolites are additional and valuable biomarkers of phthalate exposure. This study provides basic human metabolism and toxicokinetic data for two phthalates that have to be considered human reproductive toxicants and that have been shown to be omnipresent in humans.",
+ "Markup": [
+ {
+ "Start": 69,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 91,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DnBP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6950"
+ },
+ {
+ "Start": 101,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diisobutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6782"
+ },
+ {
+ "Start": 123,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DiBP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6782"
+ },
+ {
+ "Start": 300,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DnBP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6950"
+ },
+ {
+ "Start": 309,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DiBP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6782"
+ },
+ {
+ "Start": 383,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DnBP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6950"
+ },
+ {
+ "Start": 399,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DiBP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6782"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA/ECAO; Phthalate Atlas Report p.IV-8 (1980)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Main urinary metabolite of (14)C-dibutyl phthalate in the rat, guinea pig and hamster ... the monoester, MBP and its glucuronide. ... small amount of phthalic acid, unchanged DBP and omega and omega-1 oxidation products of MBP.",
+ "Markup": [
+ {
+ "Start": 33,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 150,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalic%20acid",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-1017"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA/ECAO; Phthalate Atlas Report p.II-11 (1980)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Metabolites found in rat urine after a single oral dose of (14)C-dibutyl phthalate included: phthalic acid, mono-butyl phthalate, mono-(3-hydroxy-butyl) phthalate, and mono-(4-hydroxy butyl) phthalate.",
+ "Markup": [
+ {
+ "Start": 65,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 93,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalic%20acid",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-1017"
+ },
+ {
+ "Start": 108,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/mono-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NTP/CERHR; Monograph on the Potential Human Reproductive and Developmental Effects of Di-n-Butyl Phthalate (DBP) p. II-10. Available from, as of April 17, 2008: https://cerhr.niehs.nih.gov/evals/index.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The primary route of MBuP, the major DBP metabolite, elimination in rodents and humans is urinary excretion. The monobutylphthalate glucuronide appears to be the primary metabolite identified in rat urine ... . MBuP is excreted into the bile (about 45%), but only about 5% is eliminated in the feces, indicating that efficient enterohepatic recirculation occurs ... . Biliary metabolites of DBP include monobutylphthalate, monobutylphthalate glucuronide, and oxidized monobutylphthalate glucuronide metabolites ... . Mice are known to excrete higher amounts of glucuronidated phthalate ester metabolites than rats and primates excrete higher levels of glucuronidated phthalate ester metabolites than mice. ...",
+ "Markup": [
+ {
+ "Start": 113,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/monobutylphthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 403,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/monobutylphthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 423,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/monobutylphthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Metabolism/Metabolites (Complete) data for DIBUTYL PHTHALATE (21 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 99,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Metabolism-Metabolites-(Complete)"
+ },
+ {
+ "Start": 52,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 149,
+ "Reference": [
+ "L133: ATSDR - Agency for Toxic Substances and Disease Registry (2001). Toxicological profile for di-n-butyl phthalate. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp135.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Di-n-butyl phthalate is absorbed via oral, inhalation, and dermal routes. It is rapidly distributed and cleared from the body. Metabolism of di-n-butyl phthalate proceeds mainly by nonspecific esterases in the gastrointestinal tract, which hydrolyze of one butyl ester bond to yield mono-n-butyl phthalate, the primary toxic metabolite. Mono-n-butyl phthalate is conjugated with glucuronic acid via glucuronosyltransferase and excreted in the urine. (L133)",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 141,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 283,
+ "Length": 22,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/mono-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 337,
+ "Length": 22,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Mono-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 379,
+ "Length": 15,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucuronic%20acid",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-94715"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Biological Half-Life",
+ "Description": "The time required for a biological system (e.g., human body) to eliminate, by natural processes, half of the amount of a chemical (e.g., alcohol, medication, or radioactive material) that has entered it.",
+ "Information": [
+ {
+ "ReferenceNumber": 29,
+ "Reference": [
+ "TDR - Ryan RP, Terry CE, Leffingwell SS (eds). Toxicology Desk Reference: The Toxic Exposure and Medical Monitoring Index, 5th Ed. Washington DC: Taylor & Francis, 1999., p. 473"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Whole body (animal studies): virtually all eliminated within 48 hours; [TDR, p. 473]"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Mechanism of Action",
+ "Description": "In medicine, the term \"mechanism of action\" (also called MOA) is used to describe how a drug or other substance produces an effect in the body. For example, a drug's mechanism of action could be how it affects a specific target in a cell, such as an enzyme, or a cell function, such as cell growth. Knowing the mechanism of action of a drug may help provide information about the safety of the drug and how it affects the body. It may also help identify the right dose of a drug and which patients are most likely to respond to treatment.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "U.S. Dept Health & Human Services/Agency for Toxic Substances & Disease Registry; Toxicological Profile for DI-n-BUTYL PHTHALATE p.83 (September 2001) No. 135. Available from, as of April 22, 2008: https://www.atsdr.cdc.gov/toxpro2.html#"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "One proposed mechanism of /testicular/ toxicity involves a disturbance in the interaction between germ cells and Sertoli cells. The Sertoli cell-germ cell interaction is generally considered to be required for the differentiation of male germ cells and their progression through the seminiferous epithelium and release as mature spermatozoa. Exposure to di-n-butyl phthalate is associated with both the release of iron from hemoglobin and/or transferrin in the liver and spleen, and the subsequent depletion of iron in the blood and testes. The decreased amount of available iron results in a decrease in succinate dehydrogenase activity in the Sertoli cells, resulting in disturbances in the energy transfer system between Sertoli cells and germ cells; anoxia due to iron depletion and/or disturbances in the energy supply may induce the sloughing of germ cells. Decreases in testicular sorbitol, fructose, and glucose levels have been observed in the testes 3-12 hours post exposure. Two days after exposure, there were significant decreases in sorbitol dehydrogenase and succinate dehydrogenase activities and decreases in testicular iron and zinc levels.",
+ "Markup": [
+ {
+ "Start": 354,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 414,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Iron",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Iron"
+ },
+ {
+ "Start": 511,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Iron",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Iron"
+ },
+ {
+ "Start": 575,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Iron",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Iron"
+ },
+ {
+ "Start": 605,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/succinate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-160419"
+ },
+ {
+ "Start": 768,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Iron",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Iron"
+ },
+ {
+ "Start": 888,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/sorbitol",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5780"
+ },
+ {
+ "Start": 898,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/fructose",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-2723872"
+ },
+ {
+ "Start": 912,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glucose",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5793"
+ },
+ {
+ "Start": 1047,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/sorbitol",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5780"
+ },
+ {
+ "Start": 1074,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/succinate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-160419"
+ },
+ {
+ "Start": 1137,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Iron",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Iron"
+ },
+ {
+ "Start": 1146,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Zinc",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Zinc"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Human Metabolite Information",
+ "Description": "Information on metabolites generated from this compound in the human body. The data in this section is from the Human Metabolome Database.",
+ "URL": "https://hmdb.ca/",
+ "Section": [
+ {
+ "TOCHeading": "Cellular Locations",
+ "Description": "Cellular locations of this compound or its metabolites (e.g., cytoplasm, nucleus, lysosome, mitochondria, membrane, extracelluar).",
+ "DisplayControls": {
+ "ListType": "Columns"
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 32,
+ "Name": "Cellular Locations",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Membrane"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Transformations",
+ "Description": "Transformations indicate that a compound (predecessor) is transformed into another compound (successor) through a particular process (such as metabolism or fermentation) or medium (such as an animal or plant). The specificity of a transformation may vary depending on the available scientific evidence. A transformation may involve a series or cascade of changes between the predecessor (reactant) and successor (product). The presence of a successor in a sample may imply the predecessor. Predecessor: chemical being transformed. Transformation: process or medium. Successor: transformation product of predecessor. Evidence: the publication providing evidence for this transformation. Dataset: the integrated content containing the transformation information. Source: the entity or group that compiled the dataset containing the transformation information.",
+ "Information": [
+ {
+ "ReferenceNumber": 119,
+ "Value": {
+ "ExternalTableName": "transformations"
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Use and Manufacturing",
+ "Description": "This section provides information on the use and manufacturing information for this chemical, such as uses, consumption patterns, manufacturing methods, and U.S. imports/exports/production.",
+ "Section": [
+ {
+ "TOCHeading": "Uses",
+ "Description": "Major uses of this chemical, including both consumer uses and industrial uses.",
+ "Information": [
+ {
+ "ReferenceNumber": 13,
+ "Name": "Cosmetic Ingredient Review Link",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CIR ingredient: Dibutyl Phthalate",
+ "Markup": [
+ {
+ "Start": 16,
+ "Length": 17,
+ "URL": "https://cir-reports.cir-safety.org/cir-ingredient-status-report/?id=17f63e9d-9778-ec11-8d21-000d3a991547"
+ },
+ {
+ "Start": 16,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20Phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 17,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate is used to help make plastics soft and flexible. It is used in shower curtains, raincoats, food wraps, bowls, car interiors, vinyl fabrics, floor tiles, and other products.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 18,
+ "Name": "EPA CPDat Chemical and Product Categories",
+ "Reference": [
+ "The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125"
+ ],
+ "Value": {
+ "ExternalTableName": "cpdat"
+ }
+ },
+ {
+ "ReferenceNumber": 29,
+ "Name": "Sources/Uses",
+ "Reference": [
+ "ACGIH - Documentation of the TLVs and BEIs, 7th Ed. Cincinnati: ACGIH Worldwide, 2020.",
+ "Kanerva - Rustemeyer L, Elsner P, John SM, Maibach HI (eds). Kanerva's Occupational Dermatology, 2nd Ed. Berlin: Springer-Verlag, 2012., p. 1779"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Plasticizer (added to polymers to effect flexibility and/or toughness); also used as an insect repellant in clothing and a solvent for perfumes, oils, and textiles; [ACGIH] Used in epoxy resins as a non-reactive solvent; [Kanerva, p. 1779]",
+ "Markup": [
+ {
+ "Start": 181,
+ "Length": 12,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/epoxy%20resins",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3559"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 29,
+ "Name": "Industrial Processes with risk of exposure",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Textiles (Fiber & Fabric Manufacturing) [Category: Industry]",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 43,
+ "URL": "https://haz-map.com/Processes/135"
+ }
+ ]
+ },
+ {
+ "String": "Painting (Pigments, Binders, and Biocides) [Category: Paint]",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 42,
+ "URL": "https://haz-map.com/Processes/145"
+ }
+ ]
+ },
+ {
+ "String": "Plastic Composites Manufacturing [Category: Industry]",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 32,
+ "URL": "https://haz-map.com/Processes/222"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "US CPSC; Phthalates; Available from, as of March 11, 2015: https://www.cpsc.gov/en/Business--Manufacturing/Business-Education/Business-Guidance/Phthalates-Information/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Congress has permanently banned three types of phthalates (DEHP, DBP, BBP) in any amount greater than 0.1 percent (computed for each phthalate, individually) in (1) children's toys and (2) certain child care articles. di-(2-ethylhexyl) phthalate (DEHP), dibutyl phthalate (DBP), or benzyl butyl phthalate (BBP).",
+ "Markup": [
+ {
+ "Start": 59,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DEHP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8343"
+ },
+ {
+ "Start": 133,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-181977"
+ },
+ {
+ "Start": 218,
+ "Length": 27,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-%282-ethylhexyl%29%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "multiple-CIDs"
+ },
+ {
+ "Start": 247,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DEHP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8343"
+ },
+ {
+ "Start": 254,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 282,
+ "Length": 22,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/benzyl%20butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-2347"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "National Pesticide Information Retrieval System's Database on Dibutyl Phthalate (84-74-2). Available from, as of February 27, 2015: https://npirspublic.ceris.purdue.edu/ppis/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For dibutyl phthalate (USEPA/OPP Pesticide Code: 028001) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./",
+ "Markup": [
+ {
+ "Start": 4,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "United States Environmental Protection Agency/ Prevention, Pesticides and Toxic Substances; Status of Pesticides in Registration, Reregistration, and Special Review. (1998) EPA 738-R-98-002, p. 270"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The active ingredient is no longer contained in any registered pesticide product ... \"cancelled\"."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 550"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Plasticizer; solvent for oil-soluble dyes, insecticides and other organics; antifoam agent; textile fiber lubricant; fragrance fixative; insect repellent."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Uses (Complete) data for DIBUTYL PHTHALATE (19 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 81,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Uses-(Complete)"
+ },
+ {
+ "Start": 34,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 119,
+ "Reference": [
+ "S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 149,
+ "Reference": [
+ "L133: ATSDR - Agency for Toxic Substances and Disease Registry (2001). Toxicological profile for di-n-butyl phthalate. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp135.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Di-n-butyl phthalate is used to make plastics more flexible and is also in carpet backings, paints, glue, insect repellents, hair spray, nail polish, and rocket fuel. (L133)",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "Use Classification",
+ "Description": "This section contains use classification/category information for this compound from various sources.",
+ "Information": [
+ {
+ "ReferenceNumber": 1,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chemical Classes -> Phthalates"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 17,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Hazardous Air Pollutants (HAPs)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 118,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Hazard Classes and Categories -> Teratogens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 119,
+ "Reference": [
+ "S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Plastics -> Polymer Type -> PUR; PVC (soft)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 119,
+ "Reference": [
+ "S47 | ECHAPLASTICS | A list from the Plastic Additives Initiative Mapping Exercise by ECHA | DOI:10.5281/zenodo.2658139"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Plastics -> Plasticisers"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 150,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "PLASTICIZERS"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Industry Uses",
+ "Description": "Categories of functional use of this chemical in industry.",
+ "DisplayControls": {
+ "ListType": "Columns"
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 19,
+ "Reference": [
+ "https://www.epa.gov/chemical-data-reporting"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Solvent"
+ },
+ {
+ "String": "Plasticizer"
+ },
+ {
+ "String": "Not Known or Reasonably Ascertainable"
+ },
+ {
+ "String": "Absorbent"
+ },
+ {
+ "String": "Other"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Consumer Uses",
+ "Description": "Consumer uses of this chemical and products containing it (e.g., chemical-specific product categories).",
+ "DisplayControls": {
+ "ListType": "Columns"
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 19,
+ "Reference": [
+ "https://www.epa.gov/chemical-data-reporting"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Plasticizer"
+ },
+ {
+ "String": "Not Known or Reasonably Ascertainable"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Household Products",
+ "Description": "Household products containing this compound. This information is from several sources, including the Consumer Product Information Database (CPID).",
+ "URL": "https://www.whatsinproducts.com/",
+ "Information": [
+ {
+ "ReferenceNumber": 12,
+ "Name": "Household & Commercial/Institutional Products",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Information on 39 consumer products that contain Dibutyl phthalate in the following categories is provided:",
+ "Markup": [
+ {
+ "Start": 49,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ },
+ {
+ "String": "• Auto Products"
+ },
+ {
+ "String": "• Commercial / Institutional"
+ },
+ {
+ "String": "• Home Maintenance"
+ },
+ {
+ "String": "• Inside the Home"
+ },
+ {
+ "String": "• Personal Care"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Methods of Manufacturing",
+ "Description": "Methods of producing this compound in an industrial scale, provided by the Hazardous Substances Data Bank (HSDB).",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "HHS/ATSDR; Toxicological Profile for Di-n-Butyl Phthalate p.87 PB/2001/109104/AS (September 2001). Available from, as of March 24, 2015: https://www.atsdr.cdc.gov/toxprofiles/index.asp"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Di-n-butyl phthalate can be manufactured via the esterification of phthalic acid with n-butyl alcohol in the presence of a catalyst such as sulfuric acid or p-toluene sulfonic acid. This reaction is generally performed at a temperature of 150 °C along with agitation. Water from this process is either recovered for other operations or treated and discharged as waste water. Di-n-butyl phthalate is finally purified by vacuum distillation and/or with activated charcoal.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 67,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalic%20acid",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-1017"
+ },
+ {
+ "Start": 86,
+ "Length": 15,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/n-butyl%20alcohol",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-263"
+ },
+ {
+ "Start": 140,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/sulfuric%20acid",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-1118"
+ },
+ {
+ "Start": 157,
+ "Length": 23,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/p-toluenesulfonic%20acid",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6101"
+ },
+ {
+ "Start": 268,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 368,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 375,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 461,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/charcoal",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5462310"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 398"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "By treating n-butyl alcohol with phthalic anhydride followed by purification, which results in a product unusually free from odor and color.",
+ "Markup": [
+ {
+ "Start": 12,
+ "Length": 15,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/n-butyl%20alcohol",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-263"
+ },
+ {
+ "Start": 33,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalic%20anhydride",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6811"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Impurities",
+ "Description": "Impurities are (unwanted) chemical substances that differ from the compound of interest and can be either naturally occurring or formed during the synthesis of a chemical compound.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "European Chemicals Bureau; European Union Risk Assessment Report, Dibutyl Phthalate (84-74-2) 1st Priority List Vol 29 p.28 Report 003 (2003). Available from, as of April 18, 2008: https://esis.jrc.ec.europa.eu/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ca 0.01% (w/w) butyl benzoate",
+ "Markup": [
+ {
+ "Start": 15,
+ "Length": 14,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/butyl%20benzoate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8698"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "European Chemicals Bureau; European Union Risk Assessment Report, Dibutyl Phthalate (84-74-2) 1st Priority List Vol 29 p.28 Report 003 (2003). Available from, as of April 18, 2008: https://esis.jrc.ec.europa.eu/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ca 0.01% (w/w) butan-1-ol"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Formulations/Preparations",
+ "Description": "Information on Formulations/Preparations of this chemical, collected by the Hazardous Substances Data Bank (HSDB) from various sources.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 398"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Grade: Technical, 99-100% dibutyl phthalate.",
+ "Markup": [
+ {
+ "Start": 26,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "European Chemicals Bureau; European Union Risk Assessment Report, Dibutyl Phthalate (84-74-2) 1st Priority List Vol 29 p.94 Report 003 (2003). Available from, as of April 21, 2008: https://esis.jrc.ec.europa.eu/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Vestinol C (trade name)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "European Chemicals Bureau; IUCLID Dataset, Dibutyl Phthalate (84-74-2) p.217 (2000 CD-ROM edition). Available from, as of April 23, 2008: https://esis.jrc.ec.europa.eu/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NUOPLAZ 6938 Plasticizer: 21.9% dibutylphthalate, near 61.2% n-butyl cyclohexyl phthalate, 15.2% dicyclohexylphthalate and 1.7 % dimethylphthalate.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/NUOPLAZ",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8379"
+ },
+ {
+ "Start": 32,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutylphthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 97,
+ "Length": 21,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dicyclohexylphthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6777"
+ },
+ {
+ "Start": 129,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dimethylphthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8554"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "WHO; Environ Health Criteria Number 189: Di-n-butyl Phthalate (1997). Available from, as of April 23, 2008: https://www.inchem.org/pages/ehc.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Trade names: Caswell No. 292; Uniflex DBP; Celluflex DBP; Ergoplast FDB; Polycizer DBP; Genoplast B; Staflex DBP; Palatinol C; Hexaplast M/B; PX 104; RC Plasticizer DBP",
+ "Markup": [
+ {
+ "Start": 30,
+ "Length": 11,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Uniflex%20DBP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 43,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Celluflex",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8295"
+ },
+ {
+ "Start": 58,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Ergoplast%20FDB",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 88,
+ "Length": 11,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Genoplast%20B",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 101,
+ "Length": 11,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Staflex%20DBP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 114,
+ "Length": 11,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Palatinol%20C",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Consumption Patterns",
+ "Description": "Consumption patterns of this chemical and products containing it, collected by the Hazardous Substances Data Bank (HSDB) from various sources.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "SRI"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "PRIMARY USE IS AS A PLASTICIZER IN POLYVINYL ACETATE EMULSIONS"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "U.S. Production",
+ "Description": "The amount of this chemical produced/manufactured in the U.S.",
+ "Information": [
+ {
+ "ReferenceNumber": 19,
+ "Name": "Aggregated Product Volume",
+ "Reference": [
+ "https://www.epa.gov/chemical-data-reporting"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2019: 1,000,000 - <10,000,000 lb"
+ },
+ {
+ "String": "2018: 1,000,000 - <10,000,000 lb"
+ },
+ {
+ "String": "2017: 1,000,000 - <10,000,000 lb"
+ },
+ {
+ "String": "2016: 1,000,000 - <10,000,000 lb"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "United States International Trade Commission. Synthetic Organic Chemicals - United States Production and Sales, 1993. USITC Publication 2810, Nov. 1994. Washington, D.C., p. 3-101"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(1993) 6,662,000 lbs (includes diisobutyl phthalate)",
+ "Markup": [
+ {
+ "Start": 31,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diisobutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6782"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "SRI"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(1977) 7.72X10+9 G"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "SRI"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(1982) 7.72X10+9 G"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "US EPA; Non-confidential Production Volume Information Submitted by Companies for Chemicals Under the 1986-2002 Inventory Update Rule (IUR). 1,2-Benzenedicarboxylic acid, dibutyl ester (84-74-2). Available from, as of April 22, 2008: https://www.epa.gov/oppt/iur/tools/data/2002-vol.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#2444]",
+ "Markup": [
+ {
+ "Start": 92,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2444]"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2444]",
+ "Value": {
+ "Binary": [
+ "IlllYXIiLCJQcm9kdWN0aW9uIFJhbmdlIChwb3VuZHMpIgoiMTk4NiIsIj4xMCBtaWxsaW9uIC0gNTAgbWlsbGlvbiIKIjE5OTAiLCI+MTAgbWlsbGlvbiAtIDUwIG1pbGxpb24iCiIxOTk0IiwiPjEwIG1pbGxpb24gLSA1MCBtaWxsaW9uIgoiMTk5OCIsIj4xMCBtaWxsaW9uIC0gNTAgbWlsbGlvbiIKIjIwMDIiLCI+MTAgbWlsbGlvbiAtIDUwIG1pbGxpb24iCg=="
+ ],
+ "MimeType": "text/csv"
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more U.S. Production (Complete) data for DIBUTYL PHTHALATE (7 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 91,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=U-S-Production-(Complete)"
+ },
+ {
+ "Start": 45,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "U.S. Imports",
+ "Description": "The amount of this chemical imported to the U.S.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "SRI"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(1977) 7.47X10+8 G (PRINCPL CUSTMS DISTS)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "HHS/ATSDR; Toxicological Profile for Di-n-Butyl Phthalate p.87 PB/2001/109104/AS (September 2001). Available from, as of March 24, 2015: https://www.atsdr.cdc.gov/toxprofiles/index.asp"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(1977) 358,6000 pounds (162,700 kg)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "SRI"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(1981) 3.03X10+8 G (PRINCPL CUSTMS DISTS)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "HHS/ATSDR; Toxicological Profile for Di-n-Butyl Phthalate p.87 PB/2001/109104/AS (September 2001). Available from, as of March 24, 2015: https://www.atsdr.cdc.gov/toxprofiles/index.asp"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(1998) 567,600 pounds (257,500 kg)"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "General Manufacturing Information",
+ "Description": "General manufacturing information for this chemical, provided by the Hazardous Substances Data Bank (HSDB) and EPA TSCA Chemical Substance Inventory.",
+ "DisplayControls": {
+ "ListType": "Columns"
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 19,
+ "Name": "Industry Processing Sectors",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Plastics Product Manufacturing"
+ },
+ {
+ "String": "Wholesale and Retail Trade"
+ },
+ {
+ "String": "Adhesive Manufacturing"
+ },
+ {
+ "String": "Not Known or Reasonably Ascertainable"
+ },
+ {
+ "String": "Construction"
+ },
+ {
+ "String": "All Other Chemical Product and Preparation Manufacturing"
+ },
+ {
+ "String": "Furniture and Related Product Manufacturing"
+ },
+ {
+ "String": "Printing Ink Manufacturing"
+ },
+ {
+ "String": "Miscellaneous Manufacturing"
+ },
+ {
+ "String": "Textiles, apparel, and leather manufacturing"
+ },
+ {
+ "String": "Plastics Material and Resin Manufacturing"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 20,
+ "Name": "EPA TSCA Commercial Activity Status",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester: ACTIVE",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 47,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/1%2C2-Benzenedicarboxylic%20acid%2C%201%2C2-dibutyl%20ester",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NTP/CERHR; Monograph on the Potential Human Reproductive and Developmental Effects of Di-n-Butyl Phthalate (DBP) p. II-1 (October 2000). Available from, as of March 24, 2015: https://ntp.niehs.nih.gov/ntp/ohat/phthalates/dbp/dbp_monograph_final.pdf"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Release of DBP to the environment can occur during its production and also during the incorporation of the phthalate into plastics, adhesives, or dyes. Because DBP is not bound to the final product ...",
+ "Markup": [
+ {
+ "Start": 107,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-181977"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lefaux, R. Practical Toxicology of Plastics. Cleveland: CRC Press Inc., 1968., p. 137"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "... Widely used as plasticizer, since it is compatible with ... number of resins. ... It is one of most common plasticizers for nitrocellulose, ethylcellulose, & benzylcellulose. ... /Gives/ long life to outside varnishes exposed to sun & weather. ... Plasticizer ... for polyvinyl acetate & polymethylmethacrylate.",
+ "Markup": [
+ {
+ "Start": 128,
+ "Length": 14,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/nitrocellulose",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-44263835"
+ },
+ {
+ "Start": 144,
+ "Length": 14,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/ethylcellulose",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-24832091"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Sampling Procedures",
+ "Description": "Sampling procedures for the safety and hazard evaluation of this chemical in the workplace and other places.",
+ "URL": "https://www.osha.gov/sampling-analysis/sampling",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA; Test Methods for Evaluating Solid Waste SW-846 (1986)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Care is taken to avoid sample contact with any plastic. Under the prescribed conditions, dibutyl phthalate has a detection limit of 2.5 ug/l, a range for the average recovery of four measurements of 8.4-111.0 ug/l, and a limit for the standard deviation of 16.7 ug/l.",
+ "Markup": [
+ {
+ "Start": 89,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Identification",
+ "Description": "This section contains laboratory methods used to identify this chemical.",
+ "Section": [
+ {
+ "TOCHeading": "Analytic Laboratory Methods",
+ "Description": "Analytic laboratory methods for analyzing this compound in a sample. The information in this section is collected by the Hazardous Substances Data Bank (HSDB) from various sources.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "CDC; NIOSH Manual of Analytical Methods, 4th ed. Dibutyl Phthalate (84-74-2). Available from, as of March 4, 2015: https://www.cdc.gov/niosh/docs/2003-154/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Method: NIOSH 5020, Issue 2; Procedure: gas chromatography with flame ionization detector; Analyte: dibutyl phthalate; Matrix: air; Detection Limit: 0.01 mg per sample.",
+ "Markup": [
+ {
+ "Start": 100,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "U.S. Department of Labor/Occupational Safety and Health Administration's Index of Sampling and Analytical Methods. Dibutyl Phthalate (84-74-2). Available from, as of March 4, 2015: https://www.osha.gov/dts/sltc/methods/toc.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Method: OSHA 104; Procedure: gas chromatography with flame ionization detector; Analyte: dibutyl phthalate; Matrix: air; Detection Limit: 34 ug/cu m.",
+ "Markup": [
+ {
+ "Start": 89,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "National Environmental Methods Index; Analytical, Test and Sampling Methods. Dibutyl Phthalate (84-74-2). Available from, as of March 4, 2015: https://www.nemi.gov"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Method: EPA-EAD 1625; Procedure: gas chromatography/mass spectrometry; Analyte: dibutyl phthalate; Matrix: water; Detection Limit: 10 ug/L.",
+ "Markup": [
+ {
+ "Start": 80,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 107,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "National Environmental Methods Index; Analytical, Test and Sampling Methods. Dibutyl Phthalate (84-74-2). Available from, as of March 4, 2015: https://www.nemi.gov"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Method: EPA-EAD 606; Procedure: gas chromatography with electron capture detector; Analyte: dibutyl phthalate phthalate; Matrix: wastewater and other waters; Detection Limit: 0.36 ug/L."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Analytic Laboratory Methods (Complete) data for DIBUTYL PHTHALATE (15 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 104,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Analytic-Laboratory-Methods-(Complete)"
+ },
+ {
+ "Start": 57,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "NIOSH Analytical Methods",
+ "Description": "The NIOSH Manual of Analytical Methods is a collection of methods for sampling and analysis of contaminants in workplace air, and in the blood and urine of workers who are occupationally exposed.",
+ "URL": "https://www.cdc.gov/niosh/nmam/",
+ "Information": [
+ {
+ "ReferenceNumber": 105,
+ "Name": "NIOSH Analytical Methods",
+ "URL": "https://www.cdc.gov/niosh/docs/2003-154/pdfs/5020.pdf",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "DI(2-ETHYLHEXYL) PHTHALATE, See DIBUTYL PHTHALATE (Method 5020)",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 26,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DI%282-ETHYLHEXYL%29%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8343"
+ },
+ {
+ "Start": 32,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Safety and Hazards",
+ "Description": "Information on safety and hazards for this compound, including safety/hazards properties, reactivity, incompatibilities, management techniques, first aid treatments, and more. For toxicity and related information, please see the Toxicity section.",
+ "Section": [
+ {
+ "TOCHeading": "Hazards Identification",
+ "Description": "This section identifies the hazards of the chemical presented on the safety data sheet (SDS) and the appropriate warning information associated with those hazards. The information in this section includes, but are not limited to, the hazard classification of the chemical, signal word, pictograms, hazard statements and precautionary statements.",
+ "URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
+ "Section": [
+ {
+ "TOCHeading": "GHS Classification",
+ "Description": "GHS (Globally Harmonized System of Classification and Labelling of Chemicals) is a United Nations system to identify hazardous chemicals and to inform users about these hazards. GHS has been adopted by many countries around the world and is now also used as the basis for international and national transport regulations for dangerous goods. The GHS hazard statements, class categories, pictograms, signal words, and the precautionary statements can be found on the PubChem GHS page.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 1
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 25,
+ "Name": "Pictogram(s)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS08.svg",
+ "Type": "Icon",
+ "Extra": "Health Hazard"
+ },
+ {
+ "Start": 1,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS09.svg",
+ "Type": "Icon",
+ "Extra": "Environmental Hazard"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 25,
+ "Name": "Signal",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Danger",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 25,
+ "Name": "GHS Hazard Statements",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]",
+ "Markup": [
+ {
+ "Start": 55,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ },
+ {
+ "String": "H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]",
+ "Markup": [
+ {
+ "Start": 41,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 25,
+ "Name": "Precautionary Statement Codes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "P203, P273, P280, P318, P391, P405, and P501"
+ },
+ {
+ "String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
+ "Markup": [
+ {
+ "Start": 64,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 25,
+ "Name": "ECHA C&L Notifications Summary",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Aggregated GHS information provided by 1296 reports by companies from 35 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 178,
+ "Type": "Italics"
+ }
+ ]
+ },
+ {
+ "String": "Reported as not meeting GHS hazard criteria by 1 of 1296 reports by companies. For more detailed information, please visit ECHA C&L website.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 145,
+ "Type": "Italics"
+ },
+ {
+ "Start": 124,
+ "Length": 20,
+ "URL": "https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/16769"
+ }
+ ]
+ },
+ {
+ "String": "Of the 34 notification(s) provided by 1295 of 1296 reports by companies with hazard statement code(s).",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 102,
+ "Type": "Italics"
+ }
+ ]
+ },
+ {
+ "String": "Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 281,
+ "Type": "Italics"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 30,
+ "Name": "Pictogram(s)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS08.svg",
+ "Type": "Icon",
+ "Extra": "Health Hazard"
+ },
+ {
+ "Start": 1,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS09.svg",
+ "Type": "Icon",
+ "Extra": "Environmental Hazard"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 30,
+ "Name": "Signal",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Danger",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 30,
+ "Name": "GHS Hazard Statements",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "H360Df: May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity]",
+ "Markup": [
+ {
+ "Start": 70,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ },
+ {
+ "String": "H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]",
+ "Markup": [
+ {
+ "Start": 34,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 30,
+ "Name": "Precautionary Statement Codes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "P203, P273, P280, P318, P391, P405, and P501"
+ },
+ {
+ "String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
+ "Markup": [
+ {
+ "Start": 64,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "Pictogram(s)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS08.svg",
+ "Type": "Icon",
+ "Extra": "Health Hazard"
+ },
+ {
+ "Start": 1,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS09.svg",
+ "Type": "Icon",
+ "Extra": "Environmental Hazard"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "Signal",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Danger",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "GHS Hazard Statements",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "H360: May damage fertility or the unborn child [Danger Reproductive toxicity]",
+ "Markup": [
+ {
+ "Start": 48,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ },
+ {
+ "String": "H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]",
+ "Markup": [
+ {
+ "Start": 34,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "Precautionary Statement Codes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "P203, P273, P280, P318, P391, P405, and P501"
+ },
+ {
+ "String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
+ "Markup": [
+ {
+ "Start": 64,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 114,
+ "Name": "Pictogram(s)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg",
+ "Type": "Icon",
+ "Extra": "Irritant"
+ },
+ {
+ "Start": 1,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS08.svg",
+ "Type": "Icon",
+ "Extra": "Health Hazard"
+ },
+ {
+ "Start": 2,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS09.svg",
+ "Type": "Icon",
+ "Extra": "Environmental Hazard"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 114,
+ "Name": "Signal",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Danger",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 114,
+ "Name": "GHS Hazard Statements",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "H317: May cause an allergic skin reaction [Warning Sensitization, Skin]",
+ "Markup": [
+ {
+ "Start": 43,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]",
+ "Markup": [
+ {
+ "Start": 40,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H360: May damage fertility or the unborn child [Danger Reproductive toxicity]",
+ "Markup": [
+ {
+ "Start": 48,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ },
+ {
+ "String": "H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]",
+ "Markup": [
+ {
+ "Start": 70,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ },
+ {
+ "String": "H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]",
+ "Markup": [
+ {
+ "Start": 34,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 114,
+ "Name": "Precautionary Statement Codes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "P203, P260, P261, P264, P270, P271, P272, P273, P280, P302+P352, P304+P340, P318, P319, P321, P333+P317, P362+P364, P391, P403+P233, P405, and P501"
+ },
+ {
+ "String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
+ "Markup": [
+ {
+ "Start": 64,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 115,
+ "Name": "Pictogram(s)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg",
+ "Type": "Icon",
+ "Extra": "Irritant"
+ },
+ {
+ "Start": 1,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS08.svg",
+ "Type": "Icon",
+ "Extra": "Health Hazard"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 115,
+ "Name": "Signal",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Danger",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 115,
+ "Name": "GHS Hazard Statements",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]",
+ "Markup": [
+ {
+ "Start": 40,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]",
+ "Markup": [
+ {
+ "Start": 31,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ },
+ {
+ "String": "H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]",
+ "Markup": [
+ {
+ "Start": 70,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ },
+ {
+ "String": "H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]",
+ "Markup": [
+ {
+ "Start": 74,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 115,
+ "Name": "Precautionary Statement Codes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "P260, P261, P264, P270, P271, P304+P340, P308+P316, P319, P321, P403+P233, P405, and P501"
+ },
+ {
+ "String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
+ "Markup": [
+ {
+ "Start": 64,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 116,
+ "Name": "Pictogram(s)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS09.svg",
+ "Type": "Icon",
+ "Extra": "Environmental Hazard"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 116,
+ "Name": "Signal",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Warning",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 116,
+ "Name": "GHS Hazard Statements",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]",
+ "Markup": [
+ {
+ "Start": 34,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 116,
+ "Name": "Precautionary Statement Codes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "P273, P391, and P501"
+ },
+ {
+ "String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
+ "Markup": [
+ {
+ "Start": 64,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 117,
+ "Name": "Pictogram(s)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg",
+ "Type": "Icon",
+ "Extra": "Irritant"
+ },
+ {
+ "Start": 1,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS08.svg",
+ "Type": "Icon",
+ "Extra": "Health Hazard"
+ },
+ {
+ "Start": 2,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS09.svg",
+ "Type": "Icon",
+ "Extra": "Environmental Hazard"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 117,
+ "Name": "Signal",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Danger",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 117,
+ "Name": "GHS Hazard Statements",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "H303: May be harmful if swallowed [Warning Acute toxicity, oral]",
+ "Markup": [
+ {
+ "Start": 35,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H316: Causes mild skin irritation [Warning Skin corrosion/irritation]",
+ "Markup": [
+ {
+ "Start": 35,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H317: May cause an allergic skin reaction [Warning Sensitization, Skin]",
+ "Markup": [
+ {
+ "Start": 43,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H320: Causes eye irritation [Warning Serious eye damage/eye irritation]",
+ "Markup": [
+ {
+ "Start": 29,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]",
+ "Markup": [
+ {
+ "Start": 40,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]",
+ "Markup": [
+ {
+ "Start": 59,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]",
+ "Markup": [
+ {
+ "Start": 31,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ },
+ {
+ "String": "H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]",
+ "Markup": [
+ {
+ "Start": 70,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ },
+ {
+ "String": "H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]",
+ "Markup": [
+ {
+ "Start": 74,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ },
+ {
+ "String": "H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]",
+ "Markup": [
+ {
+ "Start": 34,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 117,
+ "Name": "Precautionary Statement Codes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501"
+ },
+ {
+ "String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
+ "Markup": [
+ {
+ "Start": 64,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 125,
+ "Name": "Pictogram(s)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS08.svg",
+ "Type": "Icon",
+ "Extra": "Health Hazard"
+ },
+ {
+ "Start": 1,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS09.svg",
+ "Type": "Icon",
+ "Extra": "Environmental Hazard"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 125,
+ "Name": "Signal",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Danger",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 125,
+ "Name": "GHS Hazard Statements",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "H360Df: May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity]",
+ "Markup": [
+ {
+ "Start": 70,
+ "Length": 6,
+ "Type": "Color",
+ "Extra": "GHSDanger"
+ }
+ ]
+ },
+ {
+ "String": "H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]",
+ "Markup": [
+ {
+ "Start": 34,
+ "Length": 7,
+ "Type": "Color",
+ "Extra": "GHSWarning"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 125,
+ "Name": "Precautionary Statement Codes",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "P203, P273, P280, P318, P391, P405, and P501"
+ },
+ {
+ "String": "(The corresponding statement to each P-code can be found at the GHS Classification page.)",
+ "Markup": [
+ {
+ "Start": 64,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#_prec"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Hazard Classes and Categories",
+ "Description": "The Hazard Classes and Categories are aligned with GHS (Globally Harmonized System of Classification and Labelling of Chemicals) hazard statement codes. The percentage data in the parenthesis from ECHA indicates that the hazard classes and categories information are consolidated from multiple companies. Also, see the detailed explanation from the above GHS classification section.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/",
+ "DisplayControls": {
+ "ShowAtMost": 2
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 25,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Repr. 1B (100%)"
+ },
+ {
+ "String": "Aquatic Acute 1 (100%)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 30,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Hazardous to the aquatic environment (acute) - category 1"
+ },
+ {
+ "String": "Reproductive toxicity - category 1B"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 114,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Skin sensitization - Category 1"
+ },
+ {
+ "String": "Reproductive toxicity - Category 1B"
+ },
+ {
+ "String": "Specific target organ toxicity - Single exposure - Category 3 (Respiratory tract irritation)"
+ },
+ {
+ "String": "Specific target organ toxicity - Repeated exposure - Category 1 (respiratory system)"
+ },
+ {
+ "String": "Hazardous to the aquatic environment (Acute) - Category 1"
+ },
+ {
+ "String": "Hazardous to the aquatic environment (Long-term) - Category 2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 115,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Specific target organ toxicity - Single exposure - Category 1 (kidney), \u000ACategory 3 (respiratory tract irritation)"
+ },
+ {
+ "String": "Specific target organ toxicity - Repeated exposure - Category 1 (upper respiratory), \u000ACategory 2 (liver)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 116,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Hazardous to the aquatic environment (Acute) - Category 1"
+ },
+ {
+ "String": "Hazardous to the aquatic environment (Long-term) - Category 2"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 117,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Acute toxicity (Oral) - Category 5"
+ },
+ {
+ "String": "Skin corrosion/irritation - Category 3"
+ },
+ {
+ "String": "Serious eye damage/eye irritation - Category 2B"
+ },
+ {
+ "String": "Skin sensitization - Category 1"
+ },
+ {
+ "String": "Reproductive toxicity - Category 2"
+ },
+ {
+ "String": "Specific target organ toxicity - Single exposure - Category 1 (kidney, nervous system), \u000ACategory 3 (respiratory tract irritation)"
+ },
+ {
+ "String": "Specific target organ toxicity - Repeated exposure - Category 1 (respiratory system), \u000ACategory 2 (testis, liver)"
+ },
+ {
+ "String": "Hazardous to the aquatic environment (Acute) - Category 1"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 118,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Teratogens"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 125,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Repr. 1B"
+ },
+ {
+ "String": "Aquatic Acute 1"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "NFPA Hazard Classification",
+ "Description": "The National Fire Protection Association (NFPA) Hazard Classification (also known as NFPA 704) provides a simple, readily recognized, easily understood system for identifying the specific hazards of a material and the severity of the hazard that would occur during an emergency response. The system addresses the health, flammability, instability, and special hazards presented from short-term, acute exposures that could occur as a result of a fire, spill, or similar emergency.",
+ "URL": "https://www.nfpa.org/News-and-Research/Publications-and-media/Blogs-Landing-Page/NFPA-Today/Blog-Posts/2021/11/05/Hazardous-Materials-Identification",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ShowAtMost": 1
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Name": "NFPA 704 Diamond",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/nfpa.cgi?code=210",
+ "Type": "Icon",
+ "Extra": "2-1-0"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "NFPA Health Rating",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "NFPA Fire Rating",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "NFPA Instability Rating",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " 0 - Materials that in themselves are normally stable, even under fire conditions."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Name": "NFPA 704 Diamond",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " ",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 1,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/image/nfpa.cgi?code=210",
+ "Type": "Icon",
+ "Extra": "2-1-0"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Name": "NFPA Health Rating",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Name": "NFPA Fire Rating",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Name": "NFPA Instability Rating",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": " 0 - Materials that in themselves are normally stable, even under fire conditions."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Health Hazards",
+ "Description": "Description of the chemical's health hazards (e.g., toxicity, corrosivity, and flammability) that can have negative impacts on our short- or long-term health.",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:"
+ },
+ {
+ "String": "Inhalation of material may be harmful. Contact may cause burns to skin and eyes. Inhalation of Asbestos dust may have a damaging effect on the lungs. Fire may produce irritating, corrosive and/or toxic gases. Some liquids produce vapors that may cause dizziness or asphyxiation. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)",
+ "Markup": [
+ {
+ "Start": 316,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Fire Hazards",
+ "Description": "Fire hazard means any situation, process, material or condition which may cause a fire or explosion or provide a ready fuel supply to increase the spread or intensity of the fire or explosion and which poses a threat to life or property. This section provides information on fire hazards involving this chemical.",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Combustible. (USCG, 1999)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Combustible."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Hazards Summary",
+ "Description": "This section provides an overview of the key hazards information of this compound.",
+ "Information": [
+ {
+ "ReferenceNumber": 1,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Di-n-phtalate is a manufactured chemical that does not occur naturally. It is an odorless and oily liquid that is colorless to faint yellow in color. It is slightly soluble in water and does not evaporate easily. Di-n-phtalate is used to make plastics more flexible and is also in carpet backings, paints, glue, insect repellents, hair spray, nail polish, and rocket fuel.",
+ "Markup": [
+ {
+ "Start": 176,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 17,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate is used in making flexible plastics that are found in a variety of consumer products. It appears to have relatively low acute (short-term) and chronic (long-term) toxicity. No information is available regarding the effects in humans from inhalation or oral exposure to dibutyl phthalate, and only minimal effects have been noted in animals exposed by inhalation. No studies are available on the reproductive, developmental, or carcinogenic effects of dibutyl phthalate in humans. Animal studies have reported developmental and reproductive effects from oral exposure. EPA has classified dibutyl phthalate as a Group D, not classifiable as to human carcinogenicity.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 287,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 469,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 605,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 29,
+ "Reference": [
+ "ACGIH - Documentation of the TLVs and BEIs, 7th Ed. Cincinnati: ACGIH Worldwide, 2020.",
+ "Kanerva - Rustemeyer L, Elsner P, John SM, Maibach HI (eds). Kanerva's Occupational Dermatology, 2nd Ed. Berlin: Springer-Verlag, 2012., p. 1779",
+ "Kanerva - Rustemeyer L, Elsner P, John SM, Maibach HI (eds). Kanerva's Occupational Dermatology, 2nd Ed. Berlin: Springer-Verlag, 2012., p. 219",
+ "Frazier - Frazier LM, Hage ML (eds). Reproductive Hazards of the Workplace. New York: John Wiley & Sons, 1998., p. 350-2"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The heated compound is an irritant to the eyes and respiratory tract. [ACGIH] Allergic contact dermatitis reported in workers handling epoxy resins; [Kanerva, p. 1779] Causes contact urticaria; [Kanerva, p. 219] In high-dose reproductive studies of rats and mice, DEHP and other phthalates cause testicular damage to males and increased fetal losses and malformations to pregnant females. [Frazier, p. 350-2]",
+ "Markup": [
+ {
+ "Start": 135,
+ "Length": 12,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/epoxy%20resins",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3559"
+ },
+ {
+ "Start": 264,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DEHP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8343"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The major hazards encountered in the use and handling of dibutyl phthalate stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, dermal contact), exposure to this colorless-to-yellow, oily liquid may occur from its use as a plasticizer or solvent in lacquers, elastomers, chlorinated rubbers, polyvinyl acetate, explosives, nail polish, perfumes, resins, printing inks, paper coatings, and adhesives. Effects from exposure may include contact burns to the skin and eyes, dermatitis, nausea, and dizziness. Both the OSHA PEL and the ACGIH TLV have been set at 5 mg/cu m. Odor thresholds have been found as low as 0.26 mg/cu m. Ventilation should be used to maintain acceptable levels. In activities where over-exposure may occur, wear a self-contained breathing apparatus and protective clothing. If contact should occur, immediately flush affected skin and eyes with running water for at least 15 minutes. While dibutyl phthalate does not ignite easily, it may burn with the production of irritating or poisonous gases. Fires involving dibutyl phthalate may be extinguished with dry chemical, CO2, or Halon. Standard foam or water fog, if used, should be applied with caution, as each may cause violent frothing. Dibutyl phthalate may be shipped via air, rail, road, and water. If small amounts of dibutyl phthalate should spill, take up with sand or other noncombustible absorbent and place into containers for later disposal. For large spills, first dike far ahead of the area with soil, sand bags, foamed polyurethane, or foamed concrete, then absorb bulk material with fly ash or cement powder. For large spills in bodies of water, first use natural barriers or oil spill control booms to limit spill motion, then apply detergent, soap, or alcohols to thicken material. Apply \"universal\" gelling agent and remove trapped material with suction hoses. If dissolved, apply activated charcoal, and use mechanical dredges or lifts to remove immobilized masses. Before implementing land disposal of waste dibutyl phthalate, consult with environmental regulatory agencies for guidance. Also, dibutyl phthalate is a good candidate for liquid injection, rotary kiln, and fluidized bed forms of incineration.",
+ "Markup": [
+ {
+ "Start": 57,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 907,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 944,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1068,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1133,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Halon",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6391"
+ },
+ {
+ "Start": 1157,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1245,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1303,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1330,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1661,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1916,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/charcoal",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5462310"
+ },
+ {
+ "Start": 2035,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 2121,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Fire Potential",
+ "Description": "This section describes fire potential of this chemical (e.g., whether it is combustible or flammable).",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 398"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Combustible"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Skin, Eye, and Respiratory Irritations",
+ "Description": "Skin, eye and respiratory irritations caused by exposure to this chemical.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Grant, W.M. Toxicology of the Eye. 3rd ed. Springfield, IL: Charles C. Thomas Publisher, 1986., p. 317"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Contact with surface of ... eyes ... by accidental droplet splash as well as by exptl application ... has caused ... severe stinging pain. Pain stimulates profuse tearing ..."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 261"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Potential symptoms of overexposure are irritation of upper respiratory tract and stomach."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 261"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Caution: Potential symptoms of overexposure are irritation of upper respiratory tract and stomach."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 261"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Potential symptoms of overexposure are irritation of upper respiratory tract and stomach."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "EPA Hazardous Waste Number",
+ "Description": "Identifier for hazardous waste containing this chemical.",
+ "URL": "https://www.epa.gov/hw/defining-hazardous-waste-listed-characteristic-and-mixed-radiological-wastes",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "U069; A toxic waste when a discarded commercial chemical product or a manufacturing chemical intermediate or an off-specification commercial chemical product."
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Safety and Hazard Properties",
+ "Description": "This section lists the chemical's safety and hazard characteristics, such as the explosive/flammable limits, critical temperature and pressure, exposure limits, etc.",
+ "Section": [
+ {
+ "TOCHeading": "Flammable Limits",
+ "Description": "The flammable limits (or the flammability limits) are the minimum and maximum concentrations of fuel vapor or gas in a fuel vapor or gas/gaseous oxidant mixture (usually expressed in percent by volume) defining the concentration range (flammable or explosive range) over which propagation of flame will occur on contact with an ignition source. Also called explosive (or explosivity) limits.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-39"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Lower flammable limit: 0.5% by volume at 456 °F (235 °C)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Name": "Flammability",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Class IIIB Combustible Liquid: Fl.P. at or above 200 °F."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Lower Explosive Limit (LEL)",
+ "Description": "Lower explosive limit (LEL) means the minimum concentration of vapor in air below which propagation of a flame does not occur in the presence of an ignition source.",
+ "URL": "https://www.osha.gov/laws-regs/regulations/standardnumber/1915/1915.11",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.5 % (NTP, 1992)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.5%"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(456 °F): 0.5%"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Upper Explosive Limit (UEL)",
+ "Description": "Upper explosive limit (UEL) means the maximum concentration of flammable vapor in air above which propagation of flame does not occur on contact with a source of ignition.",
+ "URL": "https://www.osha.gov/laws-regs/regulations/standardnumber/1915/1915.11",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2.5 % Calculated (USCG, 1999)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2.5%"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Critical Temperature & Pressure",
+ "Description": "The critical temperature of a substance is the temperature at and above which vapor of the substance cannot be liquefied, no matter how much pressure is applied. The critical pressure of a substance is the pressure required to liquefy a gas at its critical temperature.",
+ "URL": "https://chem.libretexts.org/Bookshelves/General_Chemistry/Book%3A_ChemPRIME_(Moore_et_al.)/10%3A_Solids_Liquids_and_Solutions/10.13%3A_Critical_Temperature_and_Pressure",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 6-62"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Critical temperature: 797 K; critical pressure: 1.60 MPa"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Physical Dangers",
+ "Description": "The possibility of physical injury or sickness that could result in grave physical harm or death. An example of physical dangers is fire/explosion due to raw materials.",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "As a result of flow, agitation, etc., electrostatic charges can be generated."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Explosive Limits and Potential",
+ "Description": "This section shows lower and upper explosive limits of this chemical and other information on its explosive potential. Explosive limits specify the concentration range of a material in air which will burn or explode in the presence of an ignition source. There are two types of explosive limits: lower explosive limit (LEL) and upper explosive limit (UEL). The explosive limits are usually given as the percent by volume of the material in the air (e.g., 5%).",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Explosive limits , vol% in air: 0.5-~2.5 (at 235 °C)"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "OSHA Standards",
+ "Description": "Occupational Safety and Health Administration (OSHA) standards are rules that describe the methods that employers must use to protect their employees from hazards. These standards limit the amount of hazardous chemicals workers can be exposed to, require the use of certain safe practices and equipment, and require employers to monitor hazards and keep records of workplace injuries and illnesses.",
+ "URL": "https://www.osha.gov/laws-regs",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "29 CFR 1910.1000 (USDOL); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of February 25, 2015: https://www.ecfr.gov"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 5 mg/cu m."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "NIOSH Recommendations",
+ "Description": "The National Institute for Occupational Safety and Health (NIOSH) recommendations for chemical safety concerning this compound.",
+ "URL": "https://www.cdc.gov/niosh/index.htm",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Recommended Expousre Limit: 10 Hr Time-Weighted Avg: 5 mg/cu m."
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "First Aid Measures",
+ "Description": "This section describes the initial care that should be given to an individual who has been exposed to the chemical. The information in this section includes the description of the symptoms or effects of exposure to the chemical, necessary first-aid instructions by relevant routes of exposure (inhalation, skin and eye contact, and ingestion), and recommendations for immediate medical care and special treatment needed, when necessary.",
+ "URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "Inhalation First Aid",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Fresh air, rest."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "Skin First Aid",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Remove contaminated clothes. Rinse skin with plenty of water or shower.",
+ "Markup": [
+ {
+ "Start": 55,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "Eye First Aid",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.",
+ "Markup": [
+ {
+ "Start": 27,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "Ingestion First Aid",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Rinse mouth. Refer for medical attention ."
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "First Aid",
+ "Description": "First aid measures for exposure to this chemical through various routes (for example, ingestion, inhalation, skin contact, and eye contact).",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.",
+ "Markup": [
+ {
+ "Start": 96,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 105,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/normal%20saline",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5234"
+ }
+ ]
+ },
+ {
+ "String": "SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.",
+ "Markup": [
+ {
+ "Start": 43,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 166,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ },
+ {
+ "String": "INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing."
+ },
+ {
+ "String": "INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)",
+ "Markup": [
+ {
+ "Start": 105,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(See general first-aid procedures)",
+ "Markup": [
+ {
+ "Start": 1,
+ "Length": 32,
+ "URL": "https://www.cdc.gov/niosh/npg/firstaid.html"
+ }
+ ]
+ },
+ {
+ "String": "Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.",
+ "Markup": [
+ {
+ "Start": 124,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ },
+ {
+ "String": "Skin: Wash regularly"
+ },
+ {
+ "String": "Breathing: Respiratory support"
+ },
+ {
+ "String": "Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately."
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Fire Fighting",
+ "Description": "This section provides fire fighting information, including fire fighting procedures and hazards.",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:"
+ },
+ {
+ "String": "CAUTION: Fire involving Safety devices (UN3268) and Fire suppressant dispersing devices (UN3559) may have a delayed activation and a risk of hazardous projectiles. Extinguish the fire at a safe distance."
+ },
+ {
+ "String": "SMALL FIRE: Dry chemical, CO2, water spray or regular foam.",
+ "Markup": [
+ {
+ "Start": 31,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ },
+ {
+ "String": "LARGE FIRE: Water spray, fog or regular foam. Do not scatter spilled material with high-pressure water streams. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.",
+ "Markup": [
+ {
+ "Start": 12,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 97,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ },
+ {
+ "String": "FIRE INVOLVING TANKS: Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)",
+ "Markup": [
+ {
+ "Start": 66,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Use foam, dry powder, carbon dioxide.",
+ "Markup": [
+ {
+ "Start": 22,
+ "Length": 14,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/carbon%20dioxide",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-280"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "Fire Fighting Procedures",
+ "Description": "This section provides information on the actions to be taken in the event of a fire emergency involving this chemical, to prevent the spread of and extinguish fires.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "U.S. Coast Guard, Department of Transportation. CHRIS - Hazardous Chemical Data. Volume II. Washington, D.C.: U.S. Government Printing Office, 1984-5."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Extinguish with dry chemicals ... or carbon dioxide.",
+ "Markup": [
+ {
+ "Start": 37,
+ "Length": 14,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/carbon%20dioxide",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-280"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Mackison, F. W., R. S. Stricoff, and L. J. Partridge, Jr. (eds.). NIOSH/OSHA - Occupational Health Guidelines for Chemical Hazards. DHHS(NIOSH) Publication No. 81-123 (3 VOLS). Washington, DC: U.S. Government Printing Office, Jan. 1981., p. 4"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/Wear/ self-contained breathing apparatus with a full facepiece operated in pressure-demand or other positive pressure mode."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Association of American Railroads; Bureau of Explosives. Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads, Pueblo, CO. 2005, p. 298"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.",
+ "Markup": [
+ {
+ "Start": 96,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 150,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 230,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 243,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 312,
+ "Length": 14,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/carbon%20dioxide",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-280"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 325-39"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Water or foam may cause frothing.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Fire Fighting Procedures (Complete) data for DIBUTYL PHTHALATE (6 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 100,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Fire-Fighting-Procedures-(Complete)"
+ },
+ {
+ "Start": 54,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Firefighting Hazards",
+ "Description": "Hazards associated with firefighting operations (such as smoke, oxygen deficiency, elevated temperatures, and poisonous atmospheres).",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Zenz, C., O.B. Dickerson, E.P. Horvath. Occupational Medicine. 3rd ed. St. Louis, MO., 1994, p. 641"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Aerosols from heated dibutyl phthalate may cause irritation of the eyes and upper-respiratory tract.",
+ "Markup": [
+ {
+ "Start": 21,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Accidental Release Measures",
+ "Description": "This section provides recommendations on the appropriate response to spills, leaks, or releases, including containment and cleanup practices to prevent or minimize exposure to people, properties, or the environment. It may also include recommendations distinguishing between responses for large and small spills where the spill volume has a significant impact on the hazard.",
+ "URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
+ "Section": [
+ {
+ "TOCHeading": "Isolation and Evacuation",
+ "Description": "Isolation and evacuation measures to take when a large amount of this chemical is accidentally released in an emergency.",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:"
+ },
+ {
+ "String": "IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids."
+ },
+ {
+ "String": "SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary."
+ },
+ {
+ "String": "FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Spillage Disposal",
+ "Description": "Methods for containment and safety measures to protect workers dealing with a spillage of this chemical.",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in vermiculite, sand or inert absorbent. Then store and dispose of according to local regulations."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Cleanup Methods",
+ "Description": "Procedures for cleanup of chemical spill or hazardous waste",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Mackison, F. W., R. S. Stricoff, and L. J. Partridge, Jr. (eds.). NIOSH/OSHA - Occupational Health Guidelines for Chemical Hazards. DHHS(NIOSH) Publication No. 81-123 (3 VOLS). Washington, DC: U.S. Government Printing Office, Jan. 1981., p. 3"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1) Remove all ignition sources. 2) Ventilate area ... 3) for small quant, absorb on paper towels. Evaporate in a safe place (such as fume hood). Allow sufficient time for evaporating vapors to completely clear hood ductwork. Burn paper in a suitable location ... large quant ... atomized in ... combustion chamber."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Association of American Railroads; Bureau of Explosives. Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads, Pueblo, CO. 2005, p. 298"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Environmental considerations-land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash or cement powder."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Association of American Railroads; Bureau of Explosives. Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads, Pueblo, CO. 2005, p. 298"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Environmental considerations-water spill: Use natural barriers or oil spill control booms to limit spill travel. Use surface active agent (eg detergent, soaps, alcohols) if approved by EPA. Inject \"universal\" gelling agent to solidify encircled spill and increase effectiveness of booms. Remove trapped material with suction hoses. If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.",
+ "Markup": [
+ {
+ "Start": 29,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 408,
+ "Length": 6,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Carbon",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Carbon"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Association of American Railroads; Bureau of Explosives. Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads, Pueblo, CO. 2005, p. 298"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Environmental considerations-air spill: Apply water spray or mist to knock down vapors.",
+ "Markup": [
+ {
+ "Start": 46,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Sigma-Aldrich; Material Safety Data Sheet for Dibutyl phthalate, Product Number: 524980, Version 4.10 (Revision Date 01/20/2015). Available from, as of March 9, 2015: https://www.sigmaaldrich.com/safety-center.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. For personal protection see section Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Disposal Methods",
+ "Description": "Disposal methods or procedures for this chemical or hazardous waste containing it.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "40 CFR 240-280, 300-306, 702-799 (USEPA); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of April 2, 2015: https://www.ecfr.gov"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U069, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA; Engineering Handbook for Hazardous Waste Incineration p.3-12 (1981) EPA 68-03-3025"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Good candidate for incineration by liquid injection with a temperature of 650-1600 °C with a residence time of 0.1-2 seconds; rotary kiln with a temperature of 820-1,600 °C with a residence time for liquids and gases: seconds, solids: hours; fluidized bed with a temperature of 450-980 °C with a residence time for liquids and gases: seconds, solids: longer."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA; Management of Hazardous Waste Leachate, EPA Contract No. 68-03-2766 p.E-179 (1982)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chemical Treatability of Dibutyl Phthalate; Concentration Process: Activated Carbon; Chemical Classification: Phthalates; Scale of Study: Batch flow, Laboratory scale; Type of Wastewater Used: Pure compound (one solute in a solvent); Results of Study: 100% reduction; 38% desorbed from carbon by elutriation with solvent; (Calgon FS-300 used. Solvents included pentane-acetone, diethyl ether, methylene chloride-acetone, chloroform-acetone, and acetone.)",
+ "Markup": [
+ {
+ "Start": 25,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20Phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 77,
+ "Length": 6,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Carbon",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Carbon"
+ },
+ {
+ "Start": 286,
+ "Length": 6,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Carbon",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Carbon"
+ },
+ {
+ "Start": 361,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/pentane",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8003"
+ },
+ {
+ "Start": 369,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ },
+ {
+ "Start": 378,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diethyl%20ether",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3283"
+ },
+ {
+ "Start": 393,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/methylene%20chloride",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6344"
+ },
+ {
+ "Start": 412,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ },
+ {
+ "Start": 421,
+ "Length": 10,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroform",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6212"
+ },
+ {
+ "Start": 432,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ },
+ {
+ "Start": 445,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA; Management of Hazardous Waste Leachate, EPA Contract No. 68-03-2766 p.E-200 (1982)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chemical Treatability of Dibutyl Phthalate; Concentration Process: Resin Adsorption; Chemical Classification: Phthalates; Scale of Study: Batch flow, Laboratory Scale; Type of Wastewater Used: Pure compound (one solute in a solvent; Results of Study: 100% reduction; 108% desorbed from resin by elutriation with solvent. (Amberlite XAD-2 used. Solvents included pentane- acetone, diethyl ether, methylene chloride-acetone, chloroform-acetone, and acetone.)",
+ "Markup": [
+ {
+ "Start": 25,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20Phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 362,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/pentane",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8003"
+ },
+ {
+ "Start": 371,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ },
+ {
+ "Start": 380,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diethyl%20ether",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3283"
+ },
+ {
+ "Start": 395,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/methylene%20chloride",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6344"
+ },
+ {
+ "Start": 414,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ },
+ {
+ "Start": 423,
+ "Length": 10,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/chloroform",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6212"
+ },
+ {
+ "Start": 434,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ },
+ {
+ "Start": 447,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Disposal Methods (Complete) data for DIBUTYL PHTHALATE (6 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 92,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Disposal-Methods-(Complete)"
+ },
+ {
+ "Start": 46,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Preventive Measures",
+ "Description": "Preventive measures to take to avoid suffering negative health effects from this chemical.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. Ensure that the local ventilation moves the contaminant away from the worker."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Association of American Railroads; Bureau of Explosives. Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads, Pueblo, CO. 2005, p. 298"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary.",
+ "Markup": [
+ {
+ "Start": 128,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Association of American Railroads; Bureau of Explosives. Emergency Handling of Hazardous Materials in Surface Transportation. Association of American Railroads, Pueblo, CO. 2005, p. 298"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Personnel protection: Avoid breathing vapors or dusts. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.",
+ "Markup": [
+ {
+ "Start": 228,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 246,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Preventive Measures (Complete) data for DIBUTYL PHTHALATE (7 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 95,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Preventive-Measures-(Complete)"
+ },
+ {
+ "Start": 49,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Handling and Storage",
+ "Description": "This section provides guidance on the safe handling practices and storage conditions for this chemical. The information in this section includes precautions for safe handling, such as recommendations for handling incompatible chemicals, minimizing the release of the chemical into the environment, and providing advice on general hygiene practices (e.g., eating, drinking, and smoking in work areas is prohibited). In addition, this section provides recommendations on the conditions for safe storage (including any incompatibilities) as well as advice on specific storage requirements (e.g., ventilation requirements). ",
+ "URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
+ "Section": [
+ {
+ "TOCHeading": "Nonfire Spill Response",
+ "Description": "Emergency response measures to take in the event of a chemical spill (without a fire).",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:"
+ },
+ {
+ "String": "Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent dust cloud. For Asbestos, avoid inhalation of dust. Cover spill with plastic sheet or tarp to minimize spreading. Do not clean up or dispose of, except under supervision of a specialist."
+ },
+ {
+ "String": "SMALL DRY SPILL: With clean shovel, place material into clean, dry container and cover loosely; move containers from spill area."
+ },
+ {
+ "String": "SMALL SPILL: Pick up with sand or other non-combustible absorbent material and place into containers for later disposal."
+ },
+ {
+ "String": "LARGE SPILL: Dike far ahead of liquid spill for later disposal. Cover powder spill with plastic sheet or tarp to minimize spreading. Prevent entry into waterways, sewers, basements or confined areas. (ERG, 2024)"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Safe Storage",
+ "Description": "Measures to take for safe storage of this chemical.",
+ "URL": "https://www.ncbi.nlm.nih.gov/books/NBK379129/",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Separated from strong oxidants."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Storage Conditions",
+ "Description": "Conditions for safe storage of this compound, including any incompatible chemicals and specific storage requirements (e.g., ventilation requirements).",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Sigma-Aldrich; Material Safety Data Sheet for Dibutyl phthalate, Product Number: 524980, Version 4.10 (Revision Date 01/20/2015). Available from, as of March 9, 2015: https://www.sigmaaldrich.com/safety-center.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage."
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Exposure Control and Personal Protection",
+ "Description": "This section provides information on the exposure limits, engineering controls, and personal protective measures that can be used to minimize worker exposure. The information in this section includes OSHA Permissible Exposure Limits (PELs), American Conference of Governmental Industrial Hygienists (ACGIH) Threshold Limit Values (TLVs), and any other exposure limit used or recommended by the chemical manufacturer, importer, or employer preparing the safety data sheet, where available. In addition, this section contains information on appropriate engineering controls (e.g., use local exhaust ventilation, or use only in an enclosed system) as well as recommendations for personal protective measures to prevent illness or injury from exposure to chemicals, such as personal protective equipment (PPE) (e.g., appropriate types of eye, face, skin or respiratory protection needed based on hazards and potential exposure).",
+ "URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
+ "Information": [
+ {
+ "ReferenceNumber": 29,
+ "Name": "Maximum Allowable Concentration (MAK)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.58 [mg/m3] (can also occur as vapor and aerosol)[German Research Foundation (DFG)]"
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "Recommended Exposure Limit (REL)",
+ "Description": "The recommended exposure limit (REL) is the maximum amount or concentration of a chemical that a worker may be exposed to. The RELs are guidelines established and recommended by the NIOSH (National Institute for Occupational Safety and Health). The RELs can be given in three ways. [1] Time-weighted average (REL-TWA): average exposure based on up to10h/day, 40h/week work schedule. [2] Short-term exposure limit (REL-STEL): a 15-minute TWA exposure that should not be exceeded at any time during a workday. [3] Ceiling limit (REL-C): absolute exposure limit that should not be exceeded at any time.",
+ "URL": "https://www.cdc.gov/niosh/npg/pgintrod.html#exposure",
+ "Information": [
+ {
+ "ReferenceNumber": 120,
+ "Name": "REL-TWA (Time Weighted Average)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "5 mg/m³"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "TWA 5 mg/m3",
+ "Markup": [
+ {
+ "Start": 10,
+ "Length": 1,
+ "Type": "Superscript"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Permissible Exposure Limit (PEL)",
+ "Description": "The permissible exposure limit (PEL) is the maximum amount or concentration of a chemical that a worker may be exposed to under OSHA regulations. The PEL can be given in three ways. [1] Time-weighted average (PEL-TWA): average exposure based on an 8h/day, 40h/week work schedule. [2] Short-term exposure limit (PEL-STEL): a 15-minute TWA exposure that should not be exceeded at any time during a workday. [3] Ceiling limit (PEL-C): absolute exposure limit that should not be exceeded at any time.",
+ "URL": "https://www.osha.gov/annotated-pels/",
+ "Information": [
+ {
+ "ReferenceNumber": 29,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "5.0 [mg/m3]"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Name": "PEL-TWA (8-Hour Time Weighted Average)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "5 mg/m³"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "TWA 5 mg/m3",
+ "Markup": [
+ {
+ "Start": 10,
+ "Length": 1,
+ "Type": "Superscript"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Immediately Dangerous to Life or Health (IDLH)",
+ "Description": "The Immediately Dangerous to Life or Health air concentration values (IDLH values) characterize high-risk exposure concentrations and conditions and are used as a component of respirator selection criteria. IDLH values are established (1) to ensure that the worker can escape from a given contaminated environment in the event of failure of the respiratory protection equipment and (2) to indicate a maximum level above which only a highly reliable breathing apparatus, providing maximum worker protection, is permitted.",
+ "URL": "https://www.cdc.gov/niosh/idlh/default.html",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "4000 mg/m3 (NIOSH, 2024)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 29,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "4000.0 [mg/m3]"
+ },
+ {
+ "String": "Excerpts from Documentation for IDLHs: The revised IDLH for dibutyl phthalate is 4,000 mg/m3 based on acute inhalation toxicity data in animals [Izmerov et al. 1982]. [Note: Due to its low volatility, this concentration could only be reached at elevated temperatures or if the liquid droplets become airborne as in a mist.]",
+ "Markup": [
+ {
+ "Start": 60,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "4000 mg/cu m"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "4000 mg/m³"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "4000 mg/m3",
+ "Markup": [
+ {
+ "Start": 9,
+ "Length": 1,
+ "Type": "Superscript"
+ }
+ ]
+ },
+ {
+ "String": "See: 84742",
+ "Markup": [
+ {
+ "Start": 5,
+ "Length": 5,
+ "URL": "https://www.cdc.gov/niosh/idlh/84742.html"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Threshold Limit Values (TLV)",
+ "Description": "The threshold limit value (TLV) of a chemical is an airborne concentration at which a worker can be exposed day after day for a working lifetime without adverse effect. There are three types of TLVs for chemicals. [1] Threshold limit value - time-weighted average (TLV-TWA): average exposure on the basis of a 8h/day, 40h/week work schedule. [2] Threshold limit value - short-term exposure limit (TLV-STEL): a 15-minute TWA exposure that should not be exceeded at any time during a workday, even if the 8-hour TWA is within the TLV-TWA. [3] Threshold limit value - ceiling limit (TLV-C): absolute exposure limit that should not be exceeded at any time. TLVs are developed by the American Conference of Governmental Industrial Hygienist. While TLVs are widely accepted occupational exposure limits, they are not standards enforced by the U.S. Government.",
+ "URL": "https://www.acgih.org/science/tlv-bei-guidelines/tlv-chemical-substances-introduction/",
+ "Information": [
+ {
+ "ReferenceNumber": 29,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "5.0 [mg/m3]"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "American Conference of Governmental Industrial Hygienists. Threshold Limit Values for Chemical Substances and Physical Agents and Biological Exposure Indices. ACGIH, Cincinnati, OH 2014, p. 24"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "8 hr Time Weighted Avg (TWA): 5 mg/cu m."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "American Conference of Governmental Industrial Hygienists. Threshold Limit Values for Chemical Substances and Physical Agents and Biological Exposure Indices. ACGIH, Cincinnati, OH 2014, p. 5"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Excursion Limit Recommendation: Excursions in worker exposure levels may exceed three times the TLV-TWA for no more than a total of 30 min during a work day, and under no circumstances should they exceed five times the TLV-TWA, provided that the TLV-TWA is not exceeded."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "5 mg/m"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 120,
+ "Name": "TLV-TWA (Time Weighted Average)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "5 mg/m³ [1990]"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Occupational Exposure Limits (OEL)",
+ "Description": "In general, the occupational exposure limit (OEL) indicates the level of admissible exposure, for a length of time (usually 8 hours), to a chemical or physical hazard that is not likely to affect the health of a worker. The OELs for chemical substances are established based on the chemical properties of the substance, experimental studies on animals and humans, toxicological and epidemiological data. These limits are set out by many professional organizations and government agencies around the world, such as the American Conference of Governmental Industrial Hygienists (ACGIH), and the National Institute for Occupational Safety and Health (NIOSH) in the United States. Different organizations may use different terminology for the OEL. For example, the ACGIH term for OEL is \"Threshold Limit Value\" (TLV)® while the NIOSH term is \"recommended exposure limits\" (REL). This section also includes MAK (maximale arbeitsplatzkonzentration), similar to threshold limit value, specifies the maximum concentration level of a toxic substance in air at a workplace.",
+ "URL": "https://www.ccohs.ca/oshanswers/hsprograms/occ_hygiene/occ_exposure_limits.html",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "MAK (Maximale Arbeitsplatz Konzentration)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.58 mg/m"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Other Standards Regulations and Guidelines",
+ "Description": "Safety and hazard standards, regulations, and guidelines for this this compound that is not shown in other sections.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "International Labour Office. Encyclopedia of Occupational Health and Safety. Vols. I&II. Geneva, Switzerland: International Labour Office, 1983., p. 1690"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "MAC USSR 0.5 mg/cu m"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Consumer Prduct Safety Improvement Act of 2008. Section 108, Public Law 110-314 August 14, 2008. Available from, as of March 24, 2015: https://www.cpsc.gov/PageFiles/129663/cpsia.pdf"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(a) Prohibition on the sale of certain products containing phthalates. Beginning on the date that is 180 days after the date of enactment of this Act, it shall be unlawful for any person to manufacture for sale, offer for sale, distribute in commerce, or import into the United States any children's toy or child care article that contains concentrations of more than 0.1 percent of di-(2-ethylhexyl) phthalate (DEHP), dibutyl phthalate (DBP), or benzyl butyl phthalate (BBP).",
+ "Markup": [
+ {
+ "Start": 383,
+ "Length": 27,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-%282-ethylhexyl%29%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "multiple-CIDs"
+ },
+ {
+ "Start": 412,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DEHP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8343"
+ },
+ {
+ "Start": 419,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 447,
+ "Length": 22,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/benzyl%20butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-2347"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Inhalation Risk",
+ "Description": "Risk of exposure to this chemical through inhalation. Note that the terms \"risk\" and \"hazard\" have different meanings. A hazard is something that has the potential to cause harm, while risk is the likelihood of harm taking place, based on exposure to that hazard.",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Effects of Long Term Exposure",
+ "Description": "This section provides health effects of long-term exposure to this compound. The long-term exposure (also called chronic exposure) is continuous or repeated contact with a toxic chemical over a long period of time (months or years). If a chemical is used every day on the job, the exposure would be chronic. Over time, some chemicals, such as PCBs and lead, can build up in the body. Chronic exposures can also occur at home. Some chemicals in household furniture, carpeting or cleaners can be sources of chronic exposure.",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Animal tests show that this substance possibly causes toxicity to human reproduction or development."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Personal Protective Equipment (PPE)",
+ "Description": "Personal protective equipment (PPE) to use when handling this chemical.",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Excerpt from NIOSH Pocket Guide for Dibutyl phthalate:",
+ "Markup": [
+ {
+ "Start": 36,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ },
+ {
+ "String": "Skin: No recommendation is made specifying the need for personal protective equipment for the body."
+ },
+ {
+ "String": "Eyes: PREVENT EYE CONTACT - Wear appropriate eye protection to prevent eye contact."
+ },
+ {
+ "String": "Wash skin: No recommendation is made specifying the need for washing the substance from the skin (either immediately or at the end of the work shift)."
+ },
+ {
+ "String": "Remove: No recommendation is made specifying the need for removing clothing that becomes wet or contaminated."
+ },
+ {
+ "String": "Change: No recommendation is made specifying the need for the worker to change clothing after the workshift. (NIOSH, 2024)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "ACGIH; Guidelines Select of Chem Protect Clothing Volume #1 Field Guide p.45 (1983)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For di-n-butyl phthalate, breakthrough times greater than one hour reported by (normally) two or more testers for butyl rubber. For di-n-butyl phthalate, breakthrough times greater than one hour reported by (normally) two or more testers for neoprene. For di-n-butyl phthalate, breakthrough times greater than one hour reported by (normally) two or more testers for nitrile rubber. For di-n-butyl phthalate, breakthrough times greater than one hour reported by (normally) two or more testers for viton. There is some data for di-n-butyl phthalate suggesting breakthrough of approximately an hour or more for polyvinyl alcohol.",
+ "Markup": [
+ {
+ "Start": 4,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 114,
+ "Length": 12,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/butyl%20rubber",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-62703"
+ },
+ {
+ "Start": 132,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 242,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/neoprene",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-31369"
+ },
+ {
+ "Start": 256,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 386,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 496,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/viton",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-727"
+ },
+ {
+ "Start": 526,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Wear appropriate eye protection to prevent eye contact."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Respirator Recommendations: Up to 50 mg/cu m.[Table#2429]",
+ "Markup": [
+ {
+ "Start": 45,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2429]"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2429]",
+ "Value": {
+ "Binary": [
+ "IkFzc2lnbmVkIFByb3RlY3Rpb24gRmFjdG9yIChBUEYpIiwiUmVzcGlyYXRvciBSZWNvbW1lbmRhdGlvbiIKIkFQRiA9IDEwIiwiQW55IGFpci1wdXJpZnlpbmcgZnVsbC1mYWNlcGllY2UgcmVzcGlyYXRvciBlcXVpcHBlZCB3aXRoIGFuIE45NSwgUjk1LCBvciBQOTUgZmlsdGVyLiBUaGUgZm9sbG93aW5nIGZpbHRlcnMgbWF5IGFsc28gYmUgdXNlZDogTjk5LCBSOTksIFA5OSwgTjEwMCwgUjEwMCwgUDEwMC4iCg=="
+ ],
+ "MimeType": "text/csv"
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Respirator Recommendations: Up to 125 mg/cu m[Table#2430]",
+ "Markup": [
+ {
+ "Start": 45,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2430]"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2430]",
+ "Value": {
+ "Binary": [
+ "IkFzc2lnbmVkIFByb3RlY3Rpb24gRmFjdG9yIChBUEYpIiwiUmVzcGlyYXRvciBSZWNvbW1lbmRhdGlvbiIKIkFQRiA9IDI1IiwiQW55IHN1cHBsaWVkLWFpciByZXNwaXJhdG9yIG9wZXJhdGVkIGluIGEgY29udGludW91cy1mbG93IG1vZGUuIFN1YnN0YW5jZSBjYXVzZXMgZXllIGlycml0YXRpb24gb3IgZGFtYWdlOyBleWUgcHJvdGVjdGlvbiBuZWVkZWQuIgoiQVBGID0gMjUiLCJBbnkgcG93ZXJlZCBhaXItcHVyaWZ5aW5nIHJlc3BpcmF0b3Igd2l0aCBhIGhpZ2gtZWZmaWNpZW5jeSBwYXJ0aWN1bGF0ZSBmaWx0ZXIuIFN1YnN0YW5jZSBjYXVzZXMgZXllIGlycml0YXRpb24gb3IgZGFtYWdlOyBleWUgcHJvdGVjdGlvbiBuZWVkZWQuIgo="
+ ],
+ "MimeType": "text/csv"
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Personal Protective Equipment (PPE) (Complete) data for DIBUTYL PHTHALATE (14 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 112,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Personal-Protective-Equipment-(PPE)-(Complete)"
+ },
+ {
+ "Start": 65,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(See general protection codes)",
+ "Markup": [
+ {
+ "Start": 1,
+ "Length": 28,
+ "URL": "https://www.cdc.gov/niosh/npg/protect.html"
+ }
+ ]
+ },
+ {
+ "String": "Skin: No recommendation"
+ },
+ {
+ "String": "Eyes: Prevent eye contact - Wear appropriate eye protection to prevent eye contact."
+ },
+ {
+ "String": "Wash skin: No recommendation"
+ },
+ {
+ "String": "Remove: No recommendation"
+ },
+ {
+ "String": "Change: No recommendation"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Respirator Recommendations",
+ "Description": "This section provides a list of allowable respirators to be used for this chemical, according to the NIOSH's Respirator Selection Recommendations.",
+ "URL": "https://www.cdc.gov/niosh/npg/pgintrod.html#mustread",
+ "Information": [
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NIOSH/OSHA"
+ },
+ {
+ "String": "Up to 50 mg/m3 :",
+ "Markup": [
+ {
+ "Start": 13,
+ "Length": 1,
+ "Type": "Superscript"
+ }
+ ]
+ },
+ {
+ "String": "(APF = 10) Any air-purifying full-facepiece respirator equipped with an N95, R95, or P95 filter. The following filters may also be used: N99, R99, P99, N100, R100, P100."
+ },
+ {
+ "String": "Click here for information on selection of N, R, or P filters.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 10,
+ "URL": "https://www.cdc.gov/niosh/npg/pgintrod.html#nrp"
+ }
+ ]
+ },
+ {
+ "String": "Up to 125 mg/m3 :",
+ "Markup": [
+ {
+ "Start": 14,
+ "Length": 1,
+ "Type": "Superscript"
+ }
+ ]
+ },
+ {
+ "String": "(APF = 25) Any supplied-air respirator operated in a continuous-flow mode"
+ },
+ {
+ "String": "(APF = 25) Any powered, air-purifying respirator with a high-efficiency particulate filter."
+ },
+ {
+ "String": "Up to 250 mg/m3 :",
+ "Markup": [
+ {
+ "Start": 14,
+ "Length": 1,
+ "Type": "Superscript"
+ }
+ ]
+ },
+ {
+ "String": "(APF = 50) Any air-purifying, full-facepiece respirator with an N100, R100, or P100 filter."
+ },
+ {
+ "String": "Click here for information on selection of N, R, or P filters.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 10,
+ "URL": "https://www.cdc.gov/niosh/npg/pgintrod.html#nrp"
+ }
+ ]
+ },
+ {
+ "String": "(APF = 50) Any self-contained breathing apparatus with a full facepiece"
+ },
+ {
+ "String": "(APF = 50) Any supplied-air respirator with a full facepiece"
+ },
+ {
+ "String": "Up to 4000 mg/m3 :",
+ "Markup": [
+ {
+ "Start": 15,
+ "Length": 1,
+ "Type": "Superscript"
+ }
+ ]
+ },
+ {
+ "String": "(APF = 2000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode"
+ },
+ {
+ "String": "Emergency or planned entry into unknown concentrations or IDLH conditions:"
+ },
+ {
+ "String": "(APF = 10,000) Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode"
+ },
+ {
+ "String": "(APF = 10,000) Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus"
+ },
+ {
+ "String": "Escape:"
+ },
+ {
+ "String": "(APF = 50) Any air-purifying, full-facepiece respirator with an N100, R100, or P100 filter."
+ },
+ {
+ "String": "Click here for information on selection of N, R, or P filters.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 10,
+ "URL": "https://www.cdc.gov/niosh/npg/pgintrod.html#nrp"
+ }
+ ]
+ },
+ {
+ "String": "Any appropriate escape-type, self-contained breathing apparatus"
+ },
+ {
+ "String": "Important additional information about respirator selection",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 59,
+ "URL": "https://www.cdc.gov/niosh/npg/pgintrod.html#mustread"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Preventions",
+ "Description": "Precautionary measures to prevent fires, explosion, exposure, skin, eye, inhalation, ingestion, etc. from chemicals.",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "Fire Prevention",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NO open flames."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "Exposure Prevention",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "PREVENT GENERATION OF MISTS! AVOID EXPOSURE OF (PREGNANT) WOMEN!"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "Inhalation Prevention",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Use ventilation."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "Skin Prevention",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Protective gloves."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "Eye Prevention",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Wear safety goggles."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "Ingestion Prevention",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Do not eat, drink, or smoke during work."
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Stability and Reactivity",
+ "Description": "This section describes the stability and reactivity hazards of the chemical. For some compounds, related information may also be found in the \"Stability/Shelf Life\" section under Experimental Properties (if available).",
+ "URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf",
+ "Section": [
+ {
+ "TOCHeading": "Air and Water Reactions",
+ "Description": "Special alerts if this chemical reacts with air, water, or moisture. ",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Insoluble in water."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Reactive Group",
+ "Description": "List of reactive groups that this chemical belongs to, according to CAMEO Chemicals at the U.S. National Oceanic and Atmospheric Administration (NOAA).",
+ "URL": "https://cameochemicals.noaa.gov/help/reactivity/reactive_groups.htm",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters",
+ "Markup": [
+ {
+ "Start": 24,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Phosphate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-21226077"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Reactivity Profile",
+ "Description": "Description of the chemical's potential reactivity with other chemicals, air, and water. Also it includes any other intrinsic reactive hazards (such as polymerizable or peroxidizable).",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Reference": [
+ "U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "N-BUTYL PHTHALATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Avoid contact with strong oxidizing agents and strong bases. Will not polymerize. (USCG, 1999). Can generate electrostatic charges. [Handling Chemicals Safely 1980. p. 250].",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/N-BUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 307,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Hydrogen",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Hydrogen"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Hazardous Reactivities and Incompatibilities",
+ "Description": "This compound may undergo hazardous reactions with other chemicals. Therefore, it is considered incompatible with those chemicals and should not be used with them.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "National Fire Protection Association; Fire Protection Guide to Hazardous Materials. 14TH Edition, Quincy, MA 2010, p. 491-53"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Liquid chlorine reacts explosively with ...dibutyl phthalate.",
+ "Markup": [
+ {
+ "Start": 7,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Chlorine",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Chlorine"
+ },
+ {
+ "Start": 43,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Control & Prevention. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from: https://www.cdc.gov/niosh/npg"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Nitrates; strong oxidizers, alkalis and acids; liquid chlorine.",
+ "Markup": [
+ {
+ "Start": 54,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Chlorine",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Chlorine"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Bretherick, L. Handbook of Reactive Chemical Hazards. 4th ed. Boston, MA: Butterworth-Heinemann Ltd., 1990, p. 998"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "A mixture of the ester /dibutyl phthalate/ and liquid chlorine confined in a stainless steel bomb reacted explosively at 118 °C.",
+ "Markup": [
+ {
+ "Start": 24,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 54,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Chlorine",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Chlorine"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Sigma-Aldrich; Material Safety Data Sheet for Dibutyl phthalate, Product Number: 524980, Version 4.10 (Revision Date 01/20/2015). Available from, as of March 9, 2015: https://www.sigmaaldrich.com/safety-center.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Strong oxidizing agents, nitrates, bases, acids, chlorine",
+ "Markup": [
+ {
+ "Start": 49,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Chlorine",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Chlorine"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Transport Information",
+ "Description": "Transport information lists the U.S. Department of Transportation (DOT) requirements and related information for shipping and transporting of hazardous chemical(s) by road, air, rail, or sea.",
+ "URL": "https://www.phmsa.dot.gov/hazmat/erg/emergency-response-guidebook-erg",
+ "Section": [
+ {
+ "TOCHeading": "DOT Label",
+ "Description": "U.S. Department of Transportation (DOT) hazard warning label for the chemical (such as flammable liquid or corrosive). This label must be displayed on shipped packages, railroad tank cars, and tank trucks according to specifications described in 49 CFR 172.",
+ "URL": "https://www.govinfo.gov/content/pkg/CFR-2020-title49-vol2/pdf/CFR-2020-title49-vol2-part172.pdf",
+ "Information": [
+ {
+ "ReferenceNumber": 4,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Class 9"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "EC Classification",
+ "Description": "European Commission (EC) classification for hazardous material.",
+ "URL": "https://ec.europa.eu/growth/sectors/chemicals/classification-labelling_en",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Symbol: T, N; R: 61-62-50; S: 53-45-61"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "UN Classification",
+ "Description": "Classification of this chemical, according to the Agreement concerning the International Carriage of Dangerous Goods by Road (ADR). ADR is a United Nations treaty that governs transnational transport of hazardous materials.",
+ "URL": "https://unece.org/about-adr",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "UN Hazard Class: 9; UN Pack Group: III"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Regulatory Information",
+ "Description": "This section lists the regulations related to the safety, health, and environment of the chemical and its associated products. The regulatory information, which may encompass national and/or regional regulations pertaining to the chemical or mixtures, is presented solely for informational purposes. For additional details, please consult the links to the information sources provided under each data entry.",
+ "Information": [
+ {
+ "ReferenceNumber": 3,
+ "Name": "The Australian Inventory of Industrial Chemicals",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chemical: 1,2-Benzenedicarboxylic acid, dibutyl ester",
+ "Markup": [
+ {
+ "Start": 10,
+ "Length": 43,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/1%2C2-Benzenedicarboxylic%20acid%2C%20dibutyl%20ester",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ },
+ {
+ "String": "Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 26,
+ "Name": "REACH Registered Substance",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Status: Active Update: 31-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14862",
+ "Markup": [
+ {
+ "Start": 34,
+ "Length": 70,
+ "URL": "https://echa.europa.eu/registration-dossier/-/registered-dossier/14862"
+ }
+ ]
+ },
+ {
+ "String": "Status: Cease Manufacture Update: 11-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/1676",
+ "Markup": [
+ {
+ "Start": 45,
+ "Length": 69,
+ "URL": "https://echa.europa.eu/registration-dossier/-/registered-dossier/1676"
+ }
+ ]
+ },
+ {
+ "String": "Status: Active Update: 28-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/1911",
+ "Markup": [
+ {
+ "Start": 34,
+ "Length": 69,
+ "URL": "https://echa.europa.eu/registration-dossier/-/registered-dossier/1911"
+ }
+ ]
+ },
+ {
+ "String": "Status: Active Update: 22-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/1805",
+ "Markup": [
+ {
+ "Start": 34,
+ "Length": 69,
+ "URL": "https://echa.europa.eu/registration-dossier/-/registered-dossier/1805"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 26,
+ "Name": "REACH Restricted Substance",
+ "Reference": [
+ "https://echa.europa.eu/substances-restricted-under-reach"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Restricted substance: Dibutyl phthalate (DBP)",
+ "Markup": [
+ {
+ "Start": 22,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ },
+ {
+ "String": "EC: 201-557-4"
+ },
+ {
+ "String": "Restriction condition document: PDF link",
+ "Markup": [
+ {
+ "Start": 32,
+ "Length": 8,
+ "URL": "https://echa.europa.eu/documents/10162/aaa92146-a005-1dc2-debe-93c80b57c5ee"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 26,
+ "Name": "REACH Substances of Very High Concern (SVHC)",
+ "Reference": [
+ "https://echa.europa.eu/candidate-list-table"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Substance: Dibutyl phthalate (DBP)",
+ "Markup": [
+ {
+ "Start": 11,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ },
+ {
+ "String": "EC: 201-557-4"
+ },
+ {
+ "String": "Date of inclusion: >28-Oct-2008"
+ },
+ {
+ "String": "Reason for inclusion: Toxic for reproduction (Article 57c); Endocrine disrupting properties (Article 57(f) - environment); Endocrine disrupting properties (Article 57(f) - human health)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 104,
+ "Name": "New Zealand EPA Inventory of Chemical Status",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate: Does not have an individual approval but may be used under an appropriate group standard",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "Atmospheric Standards",
+ "Description": "This section provides atmospheric standards related to the chemical, established by regulatory agencies.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Clean Air Act as amended in 1990, Sect. 112 (b) (1) Public Law 101-549 Nov. 15, 1990"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Listed as a hazardous air pollutant (HAP) generally known or suspected to cause serious health problems. The Clean Air Act, as amended in 1990, directs EPA to set standards requiring major sources to sharply reduce routine emissions of toxic pollutants. EPA is required to establish and phase in specific performance based standards for all air emission sources that emit one or more of the listed pollutants. Dibutyl phthalate is included on this list.",
+ "Markup": [
+ {
+ "Start": 410,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "State Drinking Water Guidelines",
+ "Description": "State drinking water guidelines (e.g. maximum containment level (MCL)) for this chemical. In general, these guidelines are recommendations and not legally enforceable.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA/Office of Water; Federal-State Toxicology and Risk Analysis Committee (FSTRAC). Summary of State and Federal Drinking Water Standards and Guidelines (11/93) To Present"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(ME) MAINE 700 ug/L"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA/Office of Water; Federal-State Toxicology and Risk Analysis Committee (FSTRAC). Summary of State and Federal Drinking Water Standards and Guidelines (11/93) To Present"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(FL) FLORIDA 700 ug/L"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA/Office of Water; Federal-State Toxicology and Risk Analysis Committee (FSTRAC). Summary of State and Federal Drinking Water Standards and Guidelines (11/93) To Present"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(MN) MINNESOTA 700 ug/L"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA/Office of Water; Federal-State Toxicology and Risk Analysis Committee (FSTRAC). Summary of State and Federal Drinking Water Standards and Guidelines (11/93) To Present"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(NH) NEW HAMPSHIRE 800 ug/L"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA/Office of Water; Federal-State Toxicology and Risk Analysis Committee (FSTRAC). Summary of State and Federal Drinking Water Standards and Guidelines (11/93) To Present"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "(WI) WISCONSIN 100 ug/L"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Clean Water Act Requirements",
+ "Description": "The Clean Water Act (CWA) of 1972 establishes the basic structure for regulating discharges of pollutants into the waters of the United States and regulating quality standards for surface waters. Under CWA, the U.S. Environmental Protection Agency (EPA) developed the Toxic Pollutant List (40 CFR Part 401.15) and the Priority Pollutant List (40 CFR Part 423, Appendix A). These lists are to be used by EPA and States to develop the Effluent Guidelines regulations and ensure water quality criteria and standards.",
+ "URL": "https://www.epa.gov/laws-regulations/summary-clean-water-act",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA; Ambient Water Quality Doc: Phthalate Esters p.vii (1980) EPA 440/5-80-067"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Protection of human health from the toxic properties of dibutyl phthalate ingested through water and contaminated organisms, the ambient water criterion is calculated at 34 mg/L.",
+ "Markup": [
+ {
+ "Start": 56,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 91,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 137,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA; Ambient Water Quality Criteria Doc: Phthalate Esters p.vii (1980) EPA 440/5-80-067"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For the protection of human health from the toxic properties of dibutyl phthalate ingested through contaminated aquatic organisms alone, the ambient water criterion is determined to be 154 mg/L.",
+ "Markup": [
+ {
+ "Start": 64,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 149,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "40 CFR 116.4 (USEPA); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of February 25, 2015: https://www.ecfr.gov"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 99,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 162,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "CERCLA Reportable Quantities",
+ "Description": "The CERCLA reportable quantity for a hazardous substance is the minimum quantity of the substance which, if released, must be reported, under the Comprehensive Environmental Response, Compensation, and Liability Act of 1980 (CERCLA, also commonly known as Superfund).",
+ "URL": "https://www.epa.gov/epcra/cercla-and-epcra-continuous-release-reporting",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "40 CFR 302.4 (USEPA); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of February 25, 2015: https://www.ecfr.gov"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 10 lb or 4.54 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV.D.3.b)."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "TSCA Requirements",
+ "Description": "This section provides information on requirements concerning this chemical under the Toxic Substances Control Act (TSCA) of 1976. TSCA provides EPA with authority to require reporting, record-keeping and testing requirements, and restrictions relating to chemical substances and/or mixtures. Certain substances are generally excluded from TSCA, including, among others, food, drugs, cosmetics and pesticides.",
+ "URL": "https://www.epa.gov/chemicals-under-tsca",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "40 CFR 799.5000 (USEPA); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of February 25, 2015: https://www.ecfr.gov"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "A testing consent order is in effect for di-n-butyl phthalate for environmental effects testing. FR citation: 1/9/89.",
+ "Markup": [
+ {
+ "Start": 41,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "40 CFR 716.120 (USEPA); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of February 25, 2015: https://www.ecfr.gov"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,2-Benzenedicarboxylic acid, dibutyl ester is included on this list. Efffective date 10/04/82; Sunset date 10/04/92.",
+ "Markup": [
+ {
+ "Start": 28,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/TSCA",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-110408"
+ },
+ {
+ "Start": 294,
+ "Length": 43,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/1%2C2-Benzenedicarboxylic%20acid%2C%20dibutyl%20ester",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "RCRA Requirements",
+ "Description": "The Resource Conservation and Recovery Act (RCRA) is the public law that creates the framework for the proper management of hazardous and non-hazardous solid waste. The law describes the waste management program mandated by Congress that gave EPA authority to develop the RCRA program. The term RCRA is often used interchangeably to refer to the law, regulations and EPA policy and guidance.",
+ "URL": "https://www.epa.gov/rcra",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "40 CFR 261.33 (USEPA); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of February 25, 2015: https://www.ecfr.gov"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "U069; As stipulated in 40 CFR 261.33, when 1,2-benzenedicarboxylic acid, dibutyl ester, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5).",
+ "Markup": [
+ {
+ "Start": 43,
+ "Length": 43,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/1%2C2-benzenedicarboxylic%20acid%2C%20dibutyl%20ester",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 422,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 489,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "FIFRA Requirements",
+ "Description": "The Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA) is the Federal statute that governs the registration, distribution, sale, and use of pesticides in the United States.",
+ "URL": "https://www.epa.gov/enforcement/federal-insecticide-fungicide-and-rodenticide-act-fifra-and-federal-facilities",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "United States Environmental Protection Agency/ Prevention, Pesticides and Toxic Substances; Status of Pesticides in Registration, Reregistration, and Special Review. (1998) EPA 738-R-98-002, p. 270"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their continued use. Under this pesticide reregistration program, EPA examines newer health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether the use of the pesticide does not pose unreasonable risk in accordance to newer safety standards, such as those described in the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern than those on List C, and with List C containing pesticides of greater concern than those on List D. Dibutyl phthalate is found on List C. Case No: 3112; Case Status: OPP is reviewing data from the pesticide's producers regarding its human health and/or environmental effects, or OPP is determining the pesticide's eligibility for reregistration and developing the Reregistration Eligibility Decision (RED) document.; Active ingredient (AI): Dibutyl phthalate; AI Status: The active ingredient is no longer contained in any registered pesticide products ... \"cancelled\".",
+ "Markup": [
+ {
+ "Start": 920,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1261,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "FDA Requirements",
+ "Description": "FDA requirements regarding this chemical and products containing it. FDA Requirements means any requirements of the Federal Food, Drug and Cosmetic Act (FDCA), as amended, and any rules or regulations promulgated thereunder which are or may be applicable to the manufacture, sale, labeling or distribution of the products regulated by FDA (e.g., drugs, biologics, dietary supplements, foods, cosmetics, tobacco products, etc.).",
+ "URL": "https://www.fda.gov/regulatory-information/laws-enforced-fda/federal-food-drug-and-cosmetic-act-fdc-act",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "21 CFR 175.105 (USEPA); U.S. National Archives and Records Administration's Electronic Code of Federal Regulations. Available from, as of February 25, 2015: https://www.ecfr.gov"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate is an indirect food additive for use only as a component of adhesives.",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Other Safety Information",
+ "Description": "Miscellaneous safety information for this chemical that is not shown in other sections, such as history, incidents, special reports, and so on.",
+ "Information": [
+ {
+ "ReferenceNumber": 2,
+ "Name": "Chemical Assessment",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "PEC / SN / Other assessments - Dibutyl phthalate (DBP): Health",
+ "Markup": [
+ {
+ "Start": 31,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ },
+ {
+ "String": "IMAP assessments - Phthalate esters: Environment tier II assessment"
+ },
+ {
+ "String": "IMAP assessments - C4-6 side chain transitional phthalates: Human health tier II assessment"
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "Toxic Combustion Products",
+ "Description": "Toxic products (e.g., gases and vapors) produced from the combustion of this chemical.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Sigma-Aldrich; Material Safety Data Sheet for Dibutyl phthalate, Product Number: 524980, Version 4.10 (Revision Date 01/20/2015). Available from, as of March 9, 2015: https://www.sigmaaldrich.com/safety-center.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Carbon oxides"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "SAIDO ET AL; EISEI KAGAKU 27 (1): 16 (1981)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The thermal decomposition of dibutyl phthalate was carried out in a flow system @ 250-500 °C. The major products were 1-butene, butanol & phthalic anhydride. SRP: phthalic anhydride is very irritating and allergenic.",
+ "Markup": [
+ {
+ "Start": 29,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 118,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/1-butene",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-7844"
+ },
+ {
+ "Start": 128,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/butanol",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-263"
+ },
+ {
+ "Start": 138,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalic%20anhydride",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6811"
+ },
+ {
+ "Start": 163,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalic%20anhydride",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6811"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Special Reports",
+ "Description": "Special reports on the safety and hazard of this chemical. Most of them are government documents and review articles.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "PIERCE ET AL; PHTHALATE ESTERS IN THE AQUATIC ENVIRONMENT; NATL RES COUNC CAN ASSOC COMM SCI CRITER ENVIRON QUAL PUBL 0 (17583): 1 (1980). THE PHYSICAL-CHEMICAL PROPERTIES, ANALYTICAL DETERMINATION & ENVIRONMENTAL DYNAMICS OF PHTHALATE ESTERS (INDUSTRIAL PLASTICIZERS) ARE REVIEWED."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "AUTAIN J; ENVIRON HEALTH PERSPECT 4:3 (1973). TOXICITY AND HEALTH THREATS OF PHTHALATE ESTERS: REVIEW OF THE LITERATURE."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "DHHS/ATSDR; Toxicological Profile for Di-n-butylphthalate (1990) ATSDR/TP-90/10"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "USEPA/ECAO; Phthalate Atlas Report (1980)",
+ "Markup": [
+ {
+ "Start": 12,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-181977"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Special Reports (Complete) data for DIBUTYL PHTHALATE (12 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 92,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Special-Reports-(Complete)"
+ },
+ {
+ "Start": 45,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Toxicity",
+ "Description": "Toxicity information related to this compound, including routes of exposure, related symptoms, acute and chronic effects, and numerical measures of toxicity.",
+ "Section": [
+ {
+ "TOCHeading": "Toxicological Information",
+ "Description": "This section provides toxicological and health effects information for the chemical. It includes the likely routes of exposure (inhalation, ingestion, skin and eye contact), and the delayed, immediate, or chronic effects/symptoms from short- and long-term exposure, and the numerical measures of toxicity [e.g., acute toxicity estimates such as the LD50 (median lethal dose, the estimated amount of a chemical expected to kill 50% of test animals in a single dose)]. This section also includes information on whether the chemical is considered as a potential carcinogen according to authoritative sources such as the National Toxicology Program (NTP) Report on Carcinogens and the International agency for Research on Cancer (IARC) Monographs.",
+ "Information": [
+ {
+ "ReferenceNumber": 1,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CDC-ATSDR Toxicological Profile",
+ "Markup": [
+ {
+ "Start": 10,
+ "Length": 21,
+ "URL": "https://wwwn.cdc.gov/TSP/ToxProfiles/ToxProfiles.aspx?id=859&tid=167"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "Toxicity Summary",
+ "Description": "Summary of the toxicity of this compound, provided by the Hazardous Substances Data Bank (HSDB) and other sources.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "IDENTIFICATION AND USE: Dibutyl phthalate (DBP) is a colorless to faint yellow, oily liquid. It is used as plasticizer; solvent for oil-soluble dyes, insecticides and other organics; antifoam agent; textile fiber lubricant; fragrance fixative; insect repellent. HUMAN EXPOSURE AND TOXICITY: DBP appears to have little potential to irritate skin or eyes or to induce sensitization. In humans, a few cases of sensitization after exposure to DBP have been reported. In vitro studies showed human skin has been found to be less permeable than rat skin to this compound. A case described in which a chemical worker accidentally swallowed about 10 g of DBP. Delayed signs and symptoms included nausea, vomiting, and dizziness, followed later by headache, pain, and irritation in the eyes, lacrimation, photophobia, and conjunctivitis. Complete recovery occurred within 2 wk. There was evidence of a slight effect on the kidney, which may have been the result of systemic hydrolysis of the ester and cumulative effects of the alcohol and the acid, as well as their oxidation and decomposition products. A recent report described increases in the incidences of hypospadias (p<0.05), cryptorchidism (p<0.05) and breast cancer (p<0.05) in the children of New Zealand soldiers who served in Malaya (1948-1960) and were exposed to DBP applied daily to their clothing as an acaricide to prevent tick-transmitted bush typhus. In other study high exposure to DBP was associated with earlier age at pubarche in boys. DBP exposure in human leukocyte cultures did not result in chromatid aberrations. DBP induced proliferation in estrogen-responsive breast cancer cell lines MCF-7 and ZR-75. ANIMAL STUDIES: The profile of effects following exposure to DBP is similar to that of other phthalate esters, which, in susceptible species, can induce hepatomegaly, increased numbers of hepatic peroxisomes, fetotoxicity, teratogenicity, and testicular damage. The acute toxicity of DBP in rats and mice is low. Signs of acute toxicity in laboratory animals include depression of activity, labored breathing, and lack of coordination. In short-term repeated-dose toxicity studies, effects in rats after oral administration included peroxisome proliferation and hepatomegaly. In longer-term studies, the effects in rats included reduced rate of weight gain, increase in relative liver weight, peroxisomal proliferation with increased peroxisomal enzyme activity, as well as alteration in testicular enzymes and degeneration of testicular germinal cells of rats. There are considerable species differences in effects on the testes following exposure to DBP, minimal effects being observed in mice and hamsters. In a continuous breeding protocol results suggest that the adverse effects of DBP are more marked in animals exposed during development and maturation than in animals exposed as adults only. DBP generally induces fetotoxic effects in the absence of maternal toxicity. Available data also indicate that DBP is teratogenic at high doses and that susceptibility to teratogenesis varies with developmental state and period of administration. DBP is not genotoxic. Since DBP causes peroxisomal proliferation, it is possible that it might be a rodent liver carcinogen, although it is much weaker in inducing hepatomegaly and peroxisome proliferation than diethylhexyl phthalate. In rats, following ingestion, DBP is metabolized by nonspecific esterases mainly in the small intestine to yield mono-n-butyl phthalate with limited subsequent biochemical oxidation of the alkyl side chain. Mono-n-butyl phthalate is stable and resistant to hydrolysis of the second ester group. Mono-n-butyl phthalate and other metabolites are excreted in the urine mainly as glucuronide conjugates. ECOTOXICITY STUDIES: The risk to aquatic organisms associated with the present mean concentrations of DBP in surface water is low. However, in highly polluted rivers the safety margin is much smaller. Recent data show that a continuous exposure to subacute concentrations of DBP for 7 d can cause antiestrogenicity in female adult Murray rainbowfish. For DBP fed ring dove (Streptophelia risoria) eggs were examined in a 3-week experiment. Egg shell thickness was found to be decreased (10%), whereas the water permeability increased (23%). Vapor of dibutyl phthalate in light produces disturbances in carotenoid synthesis of green plants resulting in chlorophyll deficiency and in extreme cases completely chlorophyll-free leaves having a white color.",
+ "Markup": [
+ {
+ "Start": 24,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 149,
+ "Reference": [
+ "A105: Melnick RL, Schiller CM: Mitochondrial toxicity of phthalate esters. Environ Health Perspect. 1982 Nov;45:51-6. PMID:7140696",
+ "L133: ATSDR - Agency for Toxic Substances and Disease Registry (2001). Toxicological profile for di-n-butyl phthalate. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp135.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The most characteristic effect of di-n-butyl phthalate is testicular atrophy. Di-n-butyl phthalate exposure causes both the release of iron from hemoglobin and/or transferrin in the liver and spleen, and the subsequent depletion of iron in the blood and testes. The decreased amount of available iron results in a decrease in succinate dehydrogenase activity in the Sertoli cells. This results in disturbances in the energy transfer system between Sertoli cells and germ cells, which is required for the differentiation of male germ cells and their progression through the seminiferous epithelium and release as mature spermatozoa. Di-n-butyl phthalate may also exhibit weak estrogenic activity. It has been shown to exhibit toxic effects in liver mitochondria by uncoupling energy-linked processes and inhibiting succinate dehydrogenase. (L133, A105)",
+ "Markup": [
+ {
+ "Start": 34,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 78,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 135,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Iron",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Iron"
+ },
+ {
+ "Start": 232,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Iron",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Iron"
+ },
+ {
+ "Start": 296,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Iron",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Iron"
+ },
+ {
+ "Start": 326,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/succinate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-160419"
+ },
+ {
+ "Start": 632,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 814,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/succinate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-160419"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "EPA IRIS Information",
+ "Description": "This section provides basic toxicity information from the EPA Integrated Risk Information System (IRIS).",
+ "URL": "https://www.epa.gov/iris",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "ListType": "CommaSeparated"
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 22,
+ "Name": "Substance",
+ "URL": "https://iris.epa.gov/ChemicalLanding/&substance_nmbr=38",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate (DBP)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 22,
+ "Name": "Toxicity Summary",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EPA IRIS Summary PDF (Update: Oct-01-1990 )",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 20,
+ "URL": "https://iris.epa.gov/static/pdfs/0038_summary.pdf"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 22,
+ "Name": "Reference Dose (RfD), chronic",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1 x 10 ^-1 mg/kg-day"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "NIOSH Toxicity Data",
+ "Description": "Toxicity data for this compound, from the National Institute for Occupational Safety and Health (NIOSH).",
+ "URL": "https://www.cdc.gov/niosh/index.htm",
+ "Information": [
+ {
+ "ReferenceNumber": 146,
+ "Name": "NIOSH Toxicity Data",
+ "Value": {
+ "ExternalTableName": "niosh"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Evidence for Carcinogenicity",
+ "Description": "Evidence that this chemical does or may cause cancer. The information here is collected from various sources by the Hazardous Substances Data Bank (HSDB).",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA Office of Pesticide Programs, Health Effects Division, Science Information Management Branch: \"Chemicals Evaluated for Carcinogenic Potential\" (April 2006)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Cancer Classification: Group D Not Classifiable as to Human Carcinogenicity"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "U.S. Environmental Protection Agency's Integrated Risk Information System (IRIS). SUmmary on Dibutyl phthalate (84-74-2). Available from, as of March 15, 2000: https://www.epa.gov/iris/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "CLASSIFICATION: D; not classifiable as to human carcinogenicity. BASIS FOR CLASSIFICATION: Pertinent data regarding carcinogenicity was not located in the available literature. HUMAN CARCINOGENICITY DATA: None. ANIMAL CARCINOGENICITY DATA: None."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Carcinogen Classification",
+ "Description": "This section provides the International Agency for Research on Cancer (IARC) Carcinogenic Classification and related monograph links. In the IARC Carcinogenic classification, chemicals are categorized into four groups: Group 1 (carcinogenic to humans), Group 2A (probably carcinogenic to humans), Group 2B (possibly carcinogenic to humans), and Group 3 (not classifiable as to its carcinogenicity to humans).",
+ "URL": "https://monographs.iarc.who.int/agents-classified-by-the-iarc/",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "ThisSection",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ }
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 149,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "No indication of carcinogenicity to humans (not listed by IARC)."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Health Effects",
+ "Description": "Principal effect(s) of exposure to each substance, listed by OSHA Health Code, Health Effects from various sources.",
+ "Information": [
+ {
+ "ReferenceNumber": 149,
+ "Reference": [
+ "L133: ATSDR - Agency for Toxic Substances and Disease Registry (2001). Toxicological profile for di-n-butyl phthalate. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp135.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Adverse effects from di-n-butyl phthalate exposure have not yet been reported in humans. However, animals studies have shown that di-n-butyl phthalate can affect reproductive ability by decreasing sperm count and causing birth defects. (L133)",
+ "Markup": [
+ {
+ "Start": 21,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 130,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Exposure Routes",
+ "Description": "The way people or other living organisms may come into contact with a hazardous chemical. Examples of common exposure routes are inhalation, ingestion, skin/eye contact.",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The substance can be absorbed into the body by inhalation of its aerosol and by ingestion."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "inhalation, ingestion, skin and/or eye contact"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 149,
+ "Reference": [
+ "L133: ATSDR - Agency for Toxic Substances and Disease Registry (2001). Toxicological profile for di-n-butyl phthalate. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp135.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Oral (L133) ; inhalation (L133) ; dermal (L133)"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Symptoms",
+ "Description": "Symptoms of exposure to this chemical through various routes (for example, ingestion, inhalation, skin contact, and eye contact).",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "Eye Exposure",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Redness. Pain."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 47,
+ "Name": "Ingestion Exposure",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Abdominal pain. Diarrhoea. Nausea. Vomiting."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "irritation eyes, upper respiratory system, stomach"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 149,
+ "Reference": [
+ "L133: ATSDR - Agency for Toxic Substances and Disease Registry (2001). Toxicological profile for di-n-butyl phthalate. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). http://www.atsdr.cdc.gov/toxprofiles/tp135.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Skin contact with di-n-butyl phthalate may cause mild irritation. (L133)",
+ "Markup": [
+ {
+ "Start": 18,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Target Organs",
+ "Description": "Organs that are affected by exposure to this chemical. Information in this section reflects human data unless otherwise noted.",
+ "Information": [
+ {
+ "ReferenceNumber": 1,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Developmental (effects during periods when organs are developing) , Reproductive (Producing Children)"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 145,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Eyes, respiratory system, gastrointestinal tract"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Acute Toxicity Link",
+ "Description": "This section provides the link to the aquatic acute toxicity test results, available at the Acute Toxicity Database at the U.S. Geological Survey (USGS) Columbia Environmental Research Center (CERC).",
+ "URL": "https://www.cerc.usgs.gov/data/acute/acute.html",
+ "Information": [
+ {
+ "ReferenceNumber": 150,
+ "URL": "https://www.cerc.usgs.gov/data/acute/qryboth.asp?Chemical=PHTHALATE20%DIBUTYL",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Chemical: PHTHALATE DIBUTYL",
+ "Markup": [
+ {
+ "Start": 10,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-181977"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Adverse Effects",
+ "Description": "An adverse effect is an undesired harmful effect resulting from a medical treatment or other intervention.",
+ "Information": [
+ {
+ "ReferenceNumber": 29,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment."
+ },
+ {
+ "String": "Skin Sensitizer - An agent that can induce an allergic reaction in the skin."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Acute Effects",
+ "Description": "The results from acute animal tests and/or acute human studies are presented in this section. Acute animal studies consist of LD50 and LC50 tests, which present the median lethal dose (or concentration) to the animals. Acute human studies usually consist of case reports from accidental poisonings or industrial accidents. These case reports often help to define the levels at which acute toxic effects are seen in humans.",
+ "Information": [
+ {
+ "ReferenceNumber": 10,
+ "Value": {
+ "ExternalTableName": "chemidplus"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Toxicity Data",
+ "Description": "Numeric toxicity data for this compound, collected from multiple sources (including the NCI Investigational Drugs and Haz-Map).",
+ "Information": [
+ {
+ "ReferenceNumber": 29,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC50 (mice) = 25,000 mg/m3/2H"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 149,
+ "Reference": [
+ "T13: Lewis RJ Sr. (ed) (2004). Sax's Dangerous Properties of Industrial Materials. 11th Edition. Hoboken, NJ: Wiley-Interscience, Wiley & Sons, Inc."
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LD50: 3050 mg/kg (Intraperitoneal, Rat) (T13)\u000ALD50: 720 mg/kg (Intravenous, Mouse) (T13)\u000ALD50: 5289 mg/kg (Oral, Mouse) (T13)\u000ALC50: 25 g/m3 over 2 hours (Inhalation, Mouse) (T13)"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Interactions",
+ "Description": "Interactions of this compound with other chemicals, according to the Hazardous Substances Data Bank (HSDB).",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Al-Badry MS, Knowles CO; Arch Enivron Contam Toxicol 9 (2): 147 (1980)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "An antagonistic interaction was observed in houseflies upon simultaneous application of di-2-ethylhexyl phthalate or dibutyl phthalate with 21 organophosphates.",
+ "Markup": [
+ {
+ "Start": 88,
+ "Length": 25,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-2-ethylhexyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8343"
+ },
+ {
+ "Start": 117,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "WHO; Environ Health Criteria Number 189: Di-n-butyl Phthalate (1997). Available from, as of April 23, 2008: https://www.inchem.org/pages/ehc.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "DBP applied to female house flies topically or by injection at a concentration of 20 ug/fly (1000 ug/g body weight) was not toxic, causing a mortality of less than 16% after 24 hr ... . Antagonistic interactions were observed when flies were treated simultaneously with DBP and various organophosphate insecticides, while synergistic interactions were observed when flies were pretreated with the phthalate 30 min before exposure to the pesticides. DBP inhibited the metabolism of organophosphate pesticides, accounting for the synergistic effects. When the phthalate and insecticides were applied simultaneously, the resulting increase in the total lipophilic pool by DBP may have resulted in an internal concentration of insecticide below the toxicity threshold.",
+ "Markup": [
+ {
+ "Start": 397,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-181977"
+ },
+ {
+ "Start": 558,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-181977"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA; Ambient Water Quality Doc (Update): Phthalate Esters (1982)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "... Adsorption of dimethyl, di-n-butyl, and di(2-ethylhexyl) phthalates using everted gut sac preparation from rat small intestine /was studied/. Monoesters were absorbed more rapidly than corresponding diesters. Esterases of the mucosal epithelium hydrolyzed the diesters to mono esters during absorption. When esterase ... inhibited by an organo-phosphate, absorption of di-n-butyl phthalate was significantly reduced.",
+ "Markup": [
+ {
+ "Start": 373,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "PMID:24758755",
+ "Zuo HX ET AL; Biomed Environ Sci. 27 (4): 268-80 (2014)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/The objective of this study was/ to investigate the relationship between atopic allergy and depression and the role of DBP in the development of depression. BALB/c mice were randomly divided into eight groups: saline; ovalbumin (OVA)-immunized; saline+DBP (0.45 mg/kg /per/ d); saline+DBP (45 mg/kg /per/ d); DBP (0.45 mg/kg /per/d) OVA-immunized; DBP (45 mg/kgod) OVA-immunized; saline+hydrocortisone (30 mg/kg /per/d); and hydrocortisone (30 mg/kg /per/d)-exposed OVA-immunized. Behavior (e.g. open-field, tail suspension, and forced swimming tests), viscera coefficients (brain and spleen), oxidative damage [e.g. reactive oxygen species (ROS), malondialdehyde (MDA), and glutathione (GSH)], as well as levels of IgE and IL-4, were then analyzed. In the saline and OVA groups, the degree of depression symptoms in mice increased with increasing DBP concentration. Additionally, the OVA-immunity groups were associated with more serious depressive behavior compared with the same exposure concentration in the saline group. Oxidative damage was associated with a dose-dependent increase in DBP in the different groups. IL-4 and IgE levels were associated with low-dose DBP stimulation, which changed to high-dose inhibition with increasing DBP exposure, possibly due to spleen injury seen at high DBP concentrations. Development of an atopic allergy has the potential to increase the risk of depression in mice, and it seems that DBP helps OVA to exert its effect in present model.",
+ "Markup": [
+ {
+ "Start": 388,
+ "Length": 14,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/hydrocortisone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5754"
+ },
+ {
+ "Start": 426,
+ "Length": 14,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/hydrocortisone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5754"
+ },
+ {
+ "Start": 649,
+ "Length": 15,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/malondialdehyde",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-10964"
+ },
+ {
+ "Start": 676,
+ "Length": 11,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glutathione",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-124886"
+ },
+ {
+ "Start": 689,
+ "Length": 3,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/GSH",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-124886"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Interactions (Complete) data for DIBUTYL PHTHALATE (10 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 89,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Interactions-(Complete)"
+ },
+ {
+ "Start": 42,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Antidote and Emergency Treatment",
+ "Description": "Information on antidote and emergency treatment when exposed to this chemical. The information here is from the Hazardous Substances Data Bank (HSDB).",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/11933",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Prager, J.C. Environmental Contaminant Reference Databook Volume 2. New York, NY: Van Nostrand Reinhold, 1996., p. 778"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Remove to fresh air. Wash affected skin areas with water. Flush eyes with water.",
+ "Markup": [
+ {
+ "Start": 51,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 74,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Currance, P.L. Clements, B., Bronstein, A.C. (Eds).; Emergency Care For Hazardous Materials Exposure. 3rd revised edition, Elsevier Mosby, St. Louis, MO 2007, p. 253"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Esters and related compounds/",
+ "Markup": [
+ {
+ "Start": 317,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Currance, P.L. Clements, B., Bronstein, A.C. (Eds).; Emergency Care For Hazardous Materials Exposure. 3rd revised edition, Elsevier Mosby, St. Louis, MO 2007, p. 253"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilation if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Esters and related compounds/",
+ "Markup": [
+ {
+ "Start": 211,
+ "Length": 6,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Oxygen",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Oxygen"
+ },
+ {
+ "Start": 414,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 584,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 697,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/charcoal",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5462310"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Currance, P.L. Clements, B., Bronstein, A.C. (Eds).; Emergency Care For Hazardous Materials Exposure. 3rd revised edition, Elsevier Mosby, St. Louis, MO 2007, p. 254"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W /SRP: \"To keep open\", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Esters and related compounds/",
+ "Markup": [
+ {
+ "Start": 739,
+ "Length": 26,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/proparacaine%20hydrochloride",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-517321"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Medical Surveillance",
+ "Description": "Medical surveillance information for this compound. Medical surveillance is the systematic assessment of employees exposed or potentially exposed to occupational hazards. This assessment monitors individuals for adverse health effects and determines the effectiveness of exposure prevention strategies.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Mackison, F. W., R. S. Stricoff, and L. J. Partridge, Jr. (eds.). NIOSH/OSHA - Occupational Health Guidelines for Chemical Hazards. DHHS(NIOSH) Publication No. 81-123 (3 VOLS). Washington, DC: U.S. Government Printing Office, Jan. 1981., p. 2"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Routine medical examinations should be provided to each employee who is exposed to dibutyl phthalate at potentially hazardous levels.",
+ "Markup": [
+ {
+ "Start": 83,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Sittig, M. Handbook of Toxic and Hazardous Chemicals and Carcinogens, 2002. 4th ed.Vol 1 A-H Norwich, NY: Noyes Publications, 2002., p. 792"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Consider the points of attack (eyes, respiratory system, gastrointestinal system) in preplacement and periodic physical examinations. Lung function tests."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Human Toxicity Excerpts",
+ "Description": "Excerpts about human toxicity of this compound, extracted from authoritative documents, such as journal articles, government reports, and reference books.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "USEPA; Ambient Water Quality Criteria Doc: Phthalate esters p.C-27 (1980) EPA 440/5-80-067"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/HUMAN EXPOSURE STUDIES/ In humans, an olfactory threshold value ranging from 0.26 to 1.47 mg/cu m /was determined/. Atmospheric concentrations of 0.12 and 0.15 mg/cu m resulted in abnormal encephalographic responses in the three human subjects in the study. When the level was reduced to 0.093 mg/cu m no conditioned reflex was noted. A PSC value of 0.1 mg/cu m is recommended."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Bingham, E.; Cohrssen, B.; Powell, C.H.; Patty's Toxicology Volumes 1-9 5th ed. John Wiley & Sons. New York, N.Y. (2001)., p. V6 828"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/HUMAN EXPOSURE STUDIES/ In 173 subjects with suspected occupational dermatoses to plastic or glue allergens, two subjects (1.2%) experienced irritation after patch testing with 5.0% n-dibutyl phthalate. None of the patients had allergic reactions."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "European Chemicals Bureau; European Union Risk Assessment Report, Dibutyl Phthalate (84-74-2) 1st Priority List Vol 29 p.96 Report 003 (2003). Available from, as of April 21, 2008: https://esis.jrc.ec.europa.eu/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/HUMAN EXPOSURE STUDIES/ Cosmetic products (nail polish with 6 or 9% DBP or deodorant with 4.5% DBP) or 5% DBP in petrolatum were patch tested on 13 to 159 persons in 11 different studies. The studies included 48-hour closed patch tests, modified maximization tests, (modified) repeated insult patch tests, 21-day cumulative irritancy tests, prophetic patch tests, controlled use studies (lasting 2 days or 4 weeks). In the majority of the studies (9/11) no irritation, (contact) sensitisation or photosensitisation was observed. In 2/11 studies with a 9% nail polish and a 4.5% deodorant, respectively, carried out with 13 and 12 persons, slight irritation was seen. The persons received 21 23 to 24-hour lasting patches on the same site of the back ... ."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "European Chemicals Bureau; European Union Risk Assessment Report, Dibutyl Phthalate (84-74-2) 1st Priority List Vol 29 p.96 Report 003 (2003). Available from, as of April 21, 2008: https://esis.jrc.ec.europa.eu/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/HUMAN EXPOSURE STUDIES/ Workers in a factory producing shoes from PVC granulate were patch tested with dibutylphthlate. Two groups of 30 workers, with and without dermatitis, respectively, were used. A control group of 30 persons was included in the study. 3/30 Workers with dermatitis and 5/30 without dermatitis reacted positive at patch testing, while none of the controls reacted. ...",
+ "Markup": [
+ {
+ "Start": 104,
+ "Length": 15,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutylphthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Human Toxicity Excerpts (Complete) data for DIBUTYL PHTHALATE (18 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 100,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Human-Toxicity-Excerpts-(Complete)"
+ },
+ {
+ "Start": 53,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Non-Human Toxicity Excerpts",
+ "Description": "Excerpts about non-human toxicity of this compound, extracted from authoritative documents, such as journal articles, government reports, and reference books.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lefaux, R. Practical Toxicology of Plastics. Cleveland: CRC Press Inc., 1968., p. 346"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/LABORATORY ANIMALS: Acute Exposure/ /In white rats, ages 5 to 6 wk and weighing 60-75 g acute toxicity: the two modes of administration chosen were oral and im. The first gave a rather high lethal dose LD50, 8-10 g/kg body weight (at 4 g/kg, all the animals remained alive, at 8 g/kg 4 out of 9 died, and at 16 g/kg 6 out of 6 died). The fatal im dose was even higher, since doses of 8 g/kg body weight did not bring about the death of a single animal."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Casarett, L.J., and J. Doull. Toxicology: The Basic Science of Poisons. New York: MacMillan Publishing Co., 1975., p. 610"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/LABORATORY ANIMALS: Acute Exposure/ Irritative response in rabbits to intradermal injections of dibutyl phthalate: degree of extravasation at 10 min mild; at 15 min mild, at 20 min moderate. /From table/",
+ "Markup": [
+ {
+ "Start": 97,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "U.S. Dept Health & Human Services/Agency for Toxic Substances & Disease Registry; Toxicological Profile for DI-n-BUTYL PHTHALATE p.92 (September 2001) No. 135. Available from, as of April 22, 2008: https://www.atsdr.cdc.gov/toxpro2.html#"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/LABORATORY ANIMALS: Acute Exposure/ Administration of zinc provides some protection against the testicular toxicity of di-n-butyl phthalate exposure in rats ... .",
+ "Markup": [
+ {
+ "Start": 55,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Zinc",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Zinc"
+ },
+ {
+ "Start": 120,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Clayton, G.D., F.E. Clayton (eds.) Patty's Industrial Hygiene and Toxicology. Volumes 2A, 2B, 2C, 2D, 2E, 2F: Toxicology. 4th ed. New York, NY: John Wiley & Sons Inc., 1993-1994., p. 3051"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/LABORATORY ANIMALS: Acute Exposure/ 1 mg/L /aerosol/ inhaled for 5.5 hr caused nasal irritation in cats. /from table/"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Non-Human Toxicity Excerpts (Complete) data for DIBUTYL PHTHALATE (105 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 105,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Non-Human-Toxicity-Excerpts-(Complete)"
+ },
+ {
+ "Start": 57,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Non-Human Toxicity Values",
+ "Description": "Quantitative non-human toxicity values (e.g., lethal dose) for this compound. The data shown here are mostly for lab animals (e.g., rat, mouse, guinea pig, and rabbit).",
+ "DisplayControls": {
+ "ShowAtMost": 5
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 1164"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LD50 Rat ip 3050 mg/kg"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 1164"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC50 Mouse inhalation 25 g/cu m/2 hr"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 1164"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LD50 Mouse iv 720 mg/kg"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 1164"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LD50 Mouse oral 5289 mg/kg."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Non-Human Toxicity Values (Complete) data for DIBUTYL PHTHALATE (16 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 102,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Non-Human-Toxicity-Values-(Complete)"
+ },
+ {
+ "Start": 55,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Ongoing Test Status",
+ "Description": "Toxicity test status of this chemical, performed by authoritative entities (e.g., government agencies).",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EPA has released the first beta version (version 0.5) of the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The beta version of the iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assays; Click on the \"Chemical Explorer\" button on the tool bar to see the data./[USEPA; ICSS Dashboard Application; Available from, as of December 8, 2014: http://actor.epa.gov/dashboard/]"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the \"Standard Toxicology & Carcinogenesis Studies\", \"Developmental Studies\", and \"Genetic Toxicity Studies\" performed with this chemical. Clicking on the \"Testing Status\" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=84-74-2]",
+ "Markup": [
+ {
+ "Start": 597,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/84-74-2",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "National Toxicology Program Studies",
+ "Description": "Reports from the National Toxicology Program, an interagency program supported by three government agencies (NIH, FDA, and CDC) within the Department of Health and Human Services. This program plays a critical role in generating, interpreting, and sharing toxicological information about chemicals of public health concerns.",
+ "URL": "https://ntp.niehs.nih.gov/whoweare/about/index.html",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Department of Health & Human Services/National Institute of Environmental Health Sciences, National Toxicology Program; Di(n-butyl) Phthalate (CAS No. 84-74-2): Reproduction and Fertility Assessment in CD-1 Mice When Administered in the Feed, NTP Study No. RACB83084 (November 28, 1984) Available from, as of August 14, 2002: https://ntp.niehs.nih.gov/index.cfm?objectid=0847F35A-0850-D1E7-B02ED4DDD150F990"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Di(n-butyl) phthalate (DBP) was evaluated using the \"Reproductive Assessment by Continuous Breeding\" protocol & Swiss CD-1 mice. In the present study ... dietary levels of 0.0, 0.03, 0.3 & 1.0% DBP (> or =99% pure) were employed in Task 2. Continuous exposure of CD-l mice (11 wks of age at outset) to the 1.0% dietary level of DBP significantly diminished (p< 0.01) the number of breeding pairs able to produce at least one litter as compared to the control pairs. In contrast, the 0.03 & 0.3% dietary levels of DBP had no effect on the fertility of breeding pairs. DBP at the highest dietary level (1.0%) also significantly decreased the number of litters delivered/pair, the average litter size, & the proportion of pups born alive as compared to the control & two lower dose groups. In addition, the proportion of live males/litter (males/total) was significantly greater in the 1.0% DBP group versus the control, & the 0.03 & 0.3% DBP groups, implying that male fetuses may be slightly more resistant to the toxic effects of DBP than female fetuses. Further, live pup weight adjusted for the total number of pups/litter tended to be lower for the pairs receiving the 1.0% DBP diet as compared to the pairs fed the control, 0.03% DBP, or 0.3% DBP diets. Since DBP exerted significant deleterious effects on fertility & reproductive performance in the F0 breeding pairs (Task 2), it was decided to conduct a crossover mating trial with the control & high dose F0 mice in order to determine whether one or both sexes were adversely affected (Task 3). Three combinations of breeding pairs were utilized in the crossover mating trial immediately following the 18-wk exposure period in Task 2. These were: Control male x Control female, 1.0% DBP male x Control female, & Control male x 1.0% DBP female. Although the proportion of detected matings did not differ significantly across the 3 combinations of breeding pairs, the proportion fertile was significantly reduced in the Control male x 1.0% DBP female pairing vs the Control male x Control female & 1.0% DBP male x Control female pairings. In addition, the number of live pups/litter, the proportion of pups born alive, & the absolute & relative live pup weights were significantly decreased for the Control male x 1.0% DBP female pairs as compared to the other two combinations of breeding pairs. As observed initially for the F0 pairs fed the 1.0% DBP diet, the proportion of live males/litter (males/total) in Task 3 tended to be higher for the Control male x 1.0% DBP female pairs relative to the other 2 pairings. Taken together, these data clearly show that the female parent & her offspring in utero were selectively affected by exposure to 1.0% DBP in the diet. The control & 1.0% DBP-exposed F0 mice were necropsied 26 days after the completion of the 7-day crossover mating trial. Sperm assessment indicated no significant difference in the % motile sperm, sperm concn, or % abnormal sperm in the cauda epididymis between male mice exposed to 0.0 or 1.0% DBP in the diet. On the other hand, body weight was significantly decreased & the relative liver weight was significantly increased in the male mice fed the 1.0% DBP- containing diet versus male mice given the control diet. In the F0 females, absolute & relative liver weight was significantly increased & absolute & relative uterine weight was significantly decreased in the 1.0% DBP-exposed group vs the combined control group. No treatment related gross or histopathologic lesions were noted for the testis, epididymis, prostate or seminal vesicles in male mice, or for the ovary, oviduct, uterus, or vagina in the female mice. Histological evaluation of the cell types in the vaginal mucosa indicated that there were no treatment-related effects on the estrous cycle. Under the conditions of this study, 1.0% DBP in the diet was a reproductive toxicant in female CD-l mice as evidenced by decreased fertility, decreased number of litters, decreased number of live pups/litter, decreased proportion of pups born alive, decreased live pup weights, & an increased proportion of live males/litter (males/total). Uterine weight also was significantly lower in 1.0% DBP exposed females vs controls, perhaps reflecting the production of fewer & smaller litters in the DBP-treated group. Finally, liver weights were greater in 1.0% DBP-exposed males & females & body weight was significantly decreased in 1.0% DBP-fed males as compared to these same endpoints in control male & female mice.Thus, DBP is a reproductive toxicant in the presence of systemic toxicity."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Department of Health & Human Services/National Institute of Environmental Health Sciences, National Toxicology Program; Reproductive Toxicity of Di-N-Butyl Phthalate (CAS No. 84-74-2) in Sprague-Dawley Rats, NTP Study No. RACB89012 (September 1991) Available from, as of August 14, 2002: https://ntp.niehs.nih.gov/index.cfm?objectid=0847F35A-0850-D1E7-B02ED4DDD150F990"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Di(n-butyl)phthalate (DBP) ... in feed was tested for its effects on fertility & reproduction in CD Sprague-Dawley rats according to the Continuous Breeding Protocol. Based on results of a dose-finding study & the information available in the literature, 0.1, 0.5, & 1.0% were chosen to investigate effect on fertility & reproduction. This yielded average doses of approx 66, 320 & 651 mg DBP/kg/day. Male & female rats (F0) were continuously exposed for a 7-day precohabitation & a 112-day cohabitation period (Task 2). Treated male & female body weights in Task 2 were within 10% of control body weights. Feed consumption values for 1.0% treated females were 18 & 8% lower compared to the control value for wk 1 & 6 respectively, & body weights of the F0 dams were decreased at all time points. Reproductive endpoints adversely affected by DBP in the F0 generation were the total number of live pups/litter (all groups) & live pup weights (middle & high dose groups). In Task 3, designed to determine the affected sex, the weights of pups from treated females were significantly decreased. At necropsy, F0 females showed decreased body weights & increased kidney- & liver- to-body weight ratios compared to controls. F0 males had increased absolute liver weights & increased liver-, kidney-, right cauda-, & epididymis-to-body weight ratios. Sperm parameters were not affected. The F1 pups from the final litter in the control & all three groups were weaned for second generation studies. Mating, pregnancy & fertility indices for F1 rats in the 1.0% dose group were all significantly decreased in the presence of a significant decr in F1 female dam body weights. Live F2 pup weights were significantly lower in all treated groups. At F1 female necropsy, body & organ weights were significantly lower in the 1.0% group For F1 males, body weight & all reproductive organ-to-body weight ratios were lower while kidney & liver ratios were higher. Epididymal sperm count & testicular spermatid head count were significantly decreased in the 1.0% treated group. In the 1.0% group, histopathologic evaluation showed degenerated seminiferous tubules in the testis in 8 of 10 animals & underdeveloped epididymis in 5 of 19 animals examined. The present study showed that DBP is a reproductive toxicant in the presence of systemic toxicity in Sprague-Dawley rats exposed both as adults & during development. Overall, the data indicate that effects on the second generation were greater than on the first generation."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "DHHS/NTP; NTP Technical Report on Toxicity Studies of Dibutyl Phthalate (CAS No. 84-74-2) Administered in Feed to F344/N Rats and B6C3F Mice (Tox 30) (March 1995) NIH Publication 95-3353. Available from, as of April 23, 2008: https://ntp-server.niehs.nih.gov/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "... In the maximum perinatal exposure (MPE) determination study in rats, dibutyl phthalate was administered in the diet to dams during gestation and lactation, and to the pups postweaning for four additional weeks, at concentrations of 0, 1,250, 2,500, 5,000, 7,500, 10,000, and 20,000 ppm. Decreased weight gains were noted in dams exposed to 20,000 ppm during gestation and to dams exposed to 10,000 ppm during lactation. The gestation index (number of live pups per breeding female) was significantly lower in the 20,000 ppm group than in the controls, and pup mortality in this group was marked (100% by Day 1 of lactation); however, survival was 89% or greater in all other treatment groups. The mean body weight of pups in the 10,000 ppm group at Day 28 of lactation was approximately 90% of the mean weight of control pups. Pups were weaned onto diets containing dibutyl phthalate at the same concentrations fed to dams. After an additional 4 weeks of dietary administration, final mean body weights of pups in the 10,000 ppm groups were 92% of the control value for males and 95% of the control value for females. Hepatomegaly (increased relative liver weight) was observed in males in all exposed groups and in females receiving 2,500 ppm or greater. No gross lesions were observed at necropsy. Moderate hypospermia of the epididymis was diagnosed in all male rats in the 7,500 and 10,000 ppm groups; mild hypospermia of the epididymis was diagnosed in 2 of 10 males in the 5,000 ppm group. No degeneration of the germinal epithelium was detected in the testis of these rats. Thus, although toxicologically important, the epididymal hypospermia was not considered to be life threatening, and 10,000 ppm was recommended as the MPE concentration for male and female rats. ...",
+ "Markup": [
+ {
+ "Start": 73,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 870,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "DHHS/NTP; NTP Technical Report on Toxicity Studies of Dibutyl Phthalate (CAS No. 84-74-2) Administered in Feed to F344/N Rats and B6C3F Mice (Tox 30) (March 1995) NIH Publication 95-3353. Available from, as of April 23, 2008: https://ntp-server.niehs.nih.gov/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "... In the ... subchronic toxicity study of dibutyl phthalate with perinatal exposure, dams were administered diets containing 0 or the maximum perinatal exposure (MPE) concentration (10,000 ppm) during gestation and lactation, and weaned pups were administered the same diets as their dams received for an additional 4 weeks, until the beginning of the 13-week exposure phase. Male and female rats then received diets containing dibutyl phthalate at concentrations of 0, 2,500, 5,000, 10,000, 20,000, and 40,000 ppm for 13 weeks. No mortality or toxicity was observed in dams during the perinatal phase of the study; however, before pups were culled at 4 days postpartum, the percentage of live pups per litter was 86% to 93% that of the controls. Through weaning, litter weights of exposed pups ranged from 89% to 92% of the control values. Ten control and ten exposed pups per sex were examined at the time of weaning; hepatomegaly and markedly increased peroxisomal enzyme activities (approximately 9-fold greater than the control values) were observed in exposed pups. Body weights of the perinatally exposed pups remained lower than those of the controls throughout the 4-week period before the 13-week adult exposures began. During the 13-week adult exposure phase, the final mean body weight of males in the MPE: 0 ppm control group (MPE rats, returned to the base diet for 13 weeks), was 95% that of the controls. The body weight gain of females in the MPE:0 ppm group was greater than that of the unexposed controls, and the final body weights of these two groups were similar. Body weight gains of rats treated with dibutyl phthalate as adults decreased with increasing exposure concentration; for rats that received the MPE concentration followed by 40,000 ppm for 13 weeks, final body weights were 51% of the control value for males and 74% of the control value for females. Hepatomegaly apparently regressed in rats in the MPE:0 ppm groups but was observed in male rats receiving 5,000 ppm or greater and in females receiving 2,500 ppm or greater. In males that received 20,000 ppm as adults, testis and epididymal weights were less than in the controls; males in the 40,000 ppm group also had a lower testis weight than the controls. Results of hematologic analyses conducted at the end of the 13-week exposure period suggested a mild anemia in male rats administered 10,000 ppm or greater as adults and female rats administered 40,000 ppm as adults. Hypocholesterolemia and hypotriglyceridemia were observed in male and female rats at the higher exposure concentrations. Hypotriglyceridemia was detected in females receiving 20,000 or 40,000 ppm and in males receiving 10,000 ppm or greater. Elevations in alkaline phosphatase activities and bile acid concentrations in male and female rats receiving 20,000 or 40,000 ppm as adults were indicative of cholestasis. Microscopic examination revealed hepatocellular cytoplasmic alteration, consistent with glycogen depletion, in male and female rats receiving a concentration of 10,000 ppm or greater. In the liver of rats receiving 40,000 ppm, small, fine, eosinophilic granules were also observed in the cytoplasm of hepatocytes. Ultrastructural examination suggested the presence of increased numbers of peroxisomes. Lipofuscin accumulation was detected in rats that received 10,000 ppm or greater. Consistent with the regression of the hepatomegaly in rats in the MPE:0 and MPE:2,500 ppm groups, peroxisomal enzyme activity was not elevated in these groups. Marked elevations of peroxisomal enzyme activity were detected, however, in males receiving 5,000 ppm or greater and in females receiving 10,000 ppm or greater; at the 40,000 ppm concentration, the highest concentration tested, enzyme activities were approximately 20 fold greater than the control values. Histopathologic examination of the testes revealed degeneration of the germinal epithelium, a mild to moderate focal lesion in rats in the 10,000 and 20,000 ppm groups and a marked, diffuse lesion in all males receiving 40,000 ppm; at 40,000 ppm, an almost complete loss of the germinal epithelium resulted. Testicular zinc concentrations were lower in the 40,000 ppm group than in the controls, a finding consistent with the marked loss of germinal epithelium at this exposure concentration. Spermatogenesis was evaluated in rats in the 0, 2,500, 10,000, and 20,000 ppm groups; rats administered 20,000 ppm had fewer spermatid heads per testis than the unexposed controls, and epididymal spermatozoal concentration was less than that in the MPE:0 ppm group. ...",
+ "Markup": [
+ {
+ "Start": 44,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 430,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1627,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 2968,
+ "Length": 8,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/glycogen",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-439177"
+ },
+ {
+ "Start": 4149,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Zinc",
+ "Type": "PubChem Internal Link",
+ "Extra": "Element-Zinc"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more National Toxicology Program Studies (Complete) data for DIBUTYL PHTHALATE (11 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 112,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=National-Toxicology-Program-Studies-(Complete)"
+ },
+ {
+ "Start": 65,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "TSCA Test Submissions",
+ "Description": "Under the Toxic Substances Control Act (TSCA), EPA has broad authority to issue regulations designed to require manufacturers (including importers) or processors to test chemical substances and mixtures for health and environmental effects. This section provides information on test reports submitted for this chemical under TSCA.",
+ "URL": "https://www.epa.gov/assessing-and-managing-chemicals-under-tsca",
+ "DisplayControls": {
+ "ShowAtMost": 5
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "UNREVIEWED",
+ "Reference": [
+ "The British Industrial Biological Research Association; A 21-Day Feeding Study of Di-n-butyl Phthalate to Rats: Effects on the Liver and Liver Lipids, (1986), EPA Document No. 40+8626209, Fiche No. OTS0509545"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Effects on the liver and liver lipids were evaluated in groups of male and female Fischer 344 rats (5/sex/dose level) fed nominal levels of 0, 0.6, 1.2 or 2.5% di-n-butyl phthalate in the diet for 21 days. Toxicity was evident by statistical differences between dosed groups and controls for: mean body weights (2.5% and 1.2% group males & 2.5% group females), food consumption (2.5% group males & females), absolute and relative liver weights (all treated animals), relative kidney weights (1.2 and 2.5% group males & 2.5% group females) and absolute and relative testis weights (2.5% group males). There was a statistically significant decrease in serum cholesterol (all treated animals) and a significant decrease in serum triglycerides (all treated males), although these effects were not considered dose-related. Also observed was an significant increase in serum triglycerides for 2.5% group females. There was a moderate increase in peroxisome proliferation for the high dose animals. Liver biochemistry revealed statistically significant differences between treated and controls as indicated by cyanide-insensitive palmitoyl-CoA oxidation levels (1.2 and 2.5% group males & 2.5% group females), lauric acid 11- and 12- hydroxylase activities (all treated males & 2.5% group females) and total hepatic protein levels (0.6 and 1.2% group males, 1.2 and 2.5% group females). There was no consistent dose response relationship among treatment groups for lipid content in the liver. Histological changes attributable to di-n-butyl phthalate were reduction in cytoplasmic basophilia in the livers of the high dose rats and some of the 1.2% group males. Severe testicular atrophy was observed at the 2.5% dietary level.",
+ "Markup": [
+ {
+ "Start": 160,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 656,
+ "Length": 11,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/cholesterol",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-5997"
+ },
+ {
+ "Start": 1103,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/cyanide",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-13847878"
+ },
+ {
+ "Start": 1123,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/palmitoyl-CoA",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-644109"
+ },
+ {
+ "Start": 1203,
+ "Length": 11,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/lauric%20acid",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3893"
+ },
+ {
+ "Start": 1523,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "UNREVIEWED",
+ "Reference": [
+ "Litton Bionetics, Inc.; Evaluation of Di-n-butyl Phthalate in the Mouse Lymphoma Assay, Final Report, (1985), EPA Document No. 40-8526206, Fiche No. OTS0509537"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The toxicity of di-n-butyl phthalate was evaluated in the mouse lymphoma L5178Y cell line in the presence and absence of rat liver S9 metabolic activation. All cultures were treated in duplicate with concentrations of 9.77, 19.50, 39.10, 78.10, 156.00, 313.00, 625.00, 1250.00, 2500.00 or 5000.00nl/ml, and growth was determined at 24 and 48 hours after initiation of the treatment. Under nonactivated conditions, di-n-butyl phthalate was soluble up to 5000nl/ml, and treatments at 78.10nl/ml were highly toxic (5.4% of average solvent (acetone) control suspension growth). Treatments at 156nl/ml were lethal to nonactivated cultures. Assays with metabolic activation appeared to be soluble at 5000nl/ml, but after 24 hours a precipitate was observed. Activated treatments at 1250nl/ml were lethal, and at 625nl/ml and 313nl/ml were highly toxic (less than 9% relative suspension growth).",
+ "Markup": [
+ {
+ "Start": 16,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 414,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 537,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "UNREVIEWED",
+ "Reference": [
+ "Litton Bionetics, Inc.; Evaluation of Di-n-butyl Phthalate in the In Vitro Transformation of Balb/3T3 Cells Assay, Final Report, (1985), EPA Document No. 40+8526206, Fiche No. OTS0509537"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The ability of di-n-butyl phthalate to induce morphological transformation was evaluated in the Balb/c-3T3 A-31 mouse cell line (Cell Transformation Assay). Based on preliminary toxicity determinations (exposure time = 72hrs), di-n-butyl phthalate was tested at concentrations of 3.4, 13.7, 27.5, 55.0 or 82.3nl/ml, resulting in a range of 80% to 10% relative survival. None of the treatments produced significantly greater transformation frequencies (95% confidence level) relative to the negative control (culture medium).",
+ "Markup": [
+ {
+ "Start": 15,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 227,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "UNREVIEWED",
+ "Reference": [
+ "Hazleton Biotechnologies Company; Mutagenicity of Di-N-Butyl Phthalate in a Mouse Lymphoma Mutation Assay, Final Report, (1986), EPA Document No. 40-8626246, Fiche No. OTS0510743"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The ability of di-n-butyl phthalate to induce specific locus mutations at the TK locus in cultured L5178Y mouse lymphoma cells (Mouse Lymphoma Mutagenicity Assay) was evaluated in the presence and absence of Aroclor-induced rat liver S-9 metabolic activation. Based on preliminary toxicity tests, 10 nonactivated cultures treated in duplicate with 15, 30, 40, 50 and 60 nL/mL were cloned, producing a range of 85.4 - 18.5% relative growth. Ten S-9 activated cultures treated in duplicate with 12.5, 50, 75, 100 and 150 nL/mL were cloned, producing a range of 120.6 - 7.0% relative growth. None of the nonactivated cultures produced mutant frequencies significantly greater than the solvent control (acetone). Activated cultures treated above 12.5 nL/mL produced mutant frequencies significantly greater than the solvent control.",
+ "Markup": [
+ {
+ "Start": 15,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 699,
+ "Length": 7,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/acetone",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-180"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "UNREVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more TSCA Test Submissions (Complete) data for DIBUTYL PHTHALATE (7 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 97,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=TSCA-Test-Submissions-(Complete)"
+ },
+ {
+ "Start": 9,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/TSCA",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-110408"
+ },
+ {
+ "Start": 51,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Ecological Information",
+ "Description": "This section provides information to evaluate the environmental impact of the chemical if it were released to the environment. The information may include data from toxicity tests performed on aquatic and/or terrestrial organisms, where available (e.g., acute or chronic aquatic toxicity data for fish, algae, and crustaceans; toxicity data on birds, bees, and plants). This section also includes information on whether there is a potential for the chemical to persist or degrade in the environment either through biodegradation or other processes (such as oxidation or hydrolysis) as well as the concentration or amount of the chemical found in the environment (e.g., in plants, animals as well as in the atmosphere or water).",
+ "Section": [
+ {
+ "TOCHeading": "Ecotoxicity Values",
+ "Description": "Quantitative toxicity values (e.g., EC50 and LC50) for various aquatic and/or terrestrial organisms in the ecosystem.",
+ "DisplayControls": {
+ "ShowAtMost": 5
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Hill EF et al; USFWS.No.191, Special Scientific Report-Wildlife: 61 (1975) Available from, as of April 21, 2008"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC50; Species: Anas platyrhynchos (Mallard duck) age 10 days; oral >5000 ppm for 8 days"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "European Chemicals Bureau; European Union Risk Assessment Report, Dibutyl Phthalate (84-74-2) 1st Priority List Vol 29 p.56 Report 003 (2003). Available from, as of April 21, 2008: https://esis.jrc.ec.europa.eu/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC50; Species: Eisenia fetida (earthworm); contact test in which DBP was applied to filter paper 1.4 mg/sq cm for 48 hr"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Huang GL et al; Bull Environ Contam Toxicol 63 (6): 759-765 (1999) as cited in the ECOTOX database. Available from, as of February 18, 2015"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "LC50; Species: Scenedesmus acutus var. acutus (Green Algae) 5-6x 10+5 cells/mL; Conditions: freshwater, static, 25 °C; Concentration: 210 ug/L for 96 hr"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Kuhn R, Pattard M; Water Res 24 (1): 31-38 (1990) as cited in the ECOTOX database. Available from, as of February 18, 2015"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "EC50; Species: Scenedesmus subspicatus (Green Algae) exponential growth phase; Conditions: freshwater, static, 24 °C, pH 8.0-9.3; Concentration: 3500 ug/L for 48 hr; Effect: population, decreased biomass /formulation/"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Ecotoxicity Values (Complete) data for DIBUTYL PHTHALATE (82 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 95,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Ecotoxicity-Values-(Complete)"
+ },
+ {
+ "Start": 48,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Ecotoxicity Excerpts",
+ "Description": "Excerpts about ecotoxicity of this compound, extracted from authoritative documents, such as journal articles, government reports, and reference books.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "European Chemicals Bureau; European Union Risk Assessment Report, Dibutyl Phthalate (84-74-2) 1st Priority List Vol 29 p.59 Report 003 (2003). Available from, as of April 21, 2008: https://esis.jrc.ec.europa.eu/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/BIRDS and MAMMALS/ The effects of a diet of 10 mg DBP/kg on egg shell thickness, breaking strength, permeability and shell structure of ring dove (Streptophelia risoria) eggs were examined in a 3-week experiment ... . Egg shell thickness was found to be decreased (10%), whereas the water permeability increased (23%). A 15% decrease in shell thickness is considered significant for reproductive effects. Rapid recovery occurred upon cessation of exposure.",
+ "Markup": [
+ {
+ "Start": 284,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "McCarthy JF, Whitmore DK; Environ Toxicol Chem 4: 167-79 (1985)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/AQUATIC SPECIES/ The toxicities of di-n-butyl phthalate (DBP) ... was assessed by measuring the effect of exposure ... on the fecundity of Daphnia magna and on the hatching and survival of the early life stages of the fathead minnow Pimephales promelas. For Daphnia magna, exposure to 1.8 mg/L DBP ... caused a significant reduction in reproduction. Doses of 0.56 mg/L DBP ... had no significant effect in decreasing reproduction. Survival of fathead minnow embryos was decreased by exposure to 1.8 mg/L DBP; none of the embryos exposed to this dose hatched successfully. Hatching and larval survival were affected by exposure to 1.0 mg/L DBP, but not to 0.56 mg/L.",
+ "Markup": [
+ {
+ "Start": 36,
+ "Length": 20,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-n-butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Davis WP; Environ Biol Fishes 21 (2): 81-90 (1988)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/AQUATIC SPECIES/ This study /examines/ responses in fecundity, viability of embryos, and skeletal anomalies during and after exposure of cyprinodontiform fish, Rivulus marmoratus, to the plasticizer, di-n-butylphthalate (DBP). Skeletal anomalies among offspring were classified as mild, moderate, or severe compared with non-deformed normal offspring. The frequency of skeletal anomalies increased from 4% (all categories combined) in controls, to 10% and 19% of the offspring from adults exposed to 1 and 2 mg/L DBP, respectively. DBP treatment was conducted over a 21 week interval, followed by a 9 week post treatment observation interval. During post treatment, frequency of skeletal anomalies decreased to less than 5% in all groups."
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "Sugawara N; Toxicol Appl Pharmacol 30 (1): 87-89 (1974)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "/AQUATIC SPECIES/ Five phthalate esters, dimethyl phthalate, diethyl phthalate, dibutyl phthalate, dihexyl phthalate, & dioctyl phthalate, were tested for the hatching of brine shrimp (Artemia salina) eggs. Dibutyl phthlate ester was the most toxic of the phthalates tested. The toxic order of 3 of the esters was dibutyl phthalate greater than diethyl phthalate greater than dimethyl phthalate.",
+ "Markup": [
+ {
+ "Start": 41,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dimethyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8554"
+ },
+ {
+ "Start": 61,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diethyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6781"
+ },
+ {
+ "Start": 80,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 99,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dihexyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6786"
+ },
+ {
+ "Start": 120,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dioctyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8346"
+ },
+ {
+ "Start": 171,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/brine",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-57417360"
+ },
+ {
+ "Start": 207,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 314,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 345,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/diethyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-6781"
+ },
+ {
+ "Start": 376,
+ "Length": 18,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dimethyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8554"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Ecotoxicity Excerpts (Complete) data for DIBUTYL PHTHALATE (28 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 97,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Ecotoxicity-Excerpts-(Complete)"
+ },
+ {
+ "Start": 50,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "US EPA Regional Screening Levels for Chemical Contaminants",
+ "Description": "The US EPA Regional Screening Levels (RSLs) provided comparison values for residential and commercial/industrial exposures to soil, air, and tapwater (drinking water). Data in this section refers to the most protective concentration between a target hazard quotient level = 0.1 or target cancer risk level = 1E-06.",
+ "URL": "https://www.epa.gov/risk/regional-screening-levels-rsls",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "Subsections",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ }
+ },
+ "Section": [
+ {
+ "TOCHeading": "Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06",
+ "Description": "The data in the table refers to the most protective concentration between a target hazard quotient level = 0.1 or target cancer risk level = 1E-06",
+ "Information": [
+ {
+ "ReferenceNumber": 23,
+ "Name": "Resident Soil (mg/kg)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "6.30e+03"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 23,
+ "Name": "Industrial Soil (mg/kg)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "8.20e+04"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 23,
+ "Name": "Tapwater (ug/L)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "9.00e+02"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 23,
+ "Name": "MCL (ug/L)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "6.00e+00"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 23,
+ "Name": "Risk-based SSL (mg/kg)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2.30e+00"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 23,
+ "Name": "Chronic Oral Reference Dose (mg/kg-day)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1.00e-01"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 23,
+ "Name": "Volatile",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Volatile"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 23,
+ "Name": "Mutagen",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Mutagen"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 23,
+ "Name": "Fraction of Contaminant Absorbed in Gastrointestinal Tract ",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 23,
+ "Name": "Fraction of Contaminant Absorbed Dermally from Soil ",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.1"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "US EPA Regional Removal Management Levels for Chemical Contaminants",
+ "Description": "Data from the Regional Removal Management Levels (RMLs) are chemical-specific concentrations for individual contaminants in tap water and soil that may be used to support the decision for EPA to undertake a removal action. This section contains calculated RMLs corresponding to either a 1E-4 risk level for carcinogens or a Hazard Quotient (HQ) of 3 for non-carcinogens.",
+ "URL": "https://www.epa.gov/risk/regional-removal-management-levels-rmls-users-guide",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "Subsections",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ }
+ },
+ "Section": [
+ {
+ "TOCHeading": "Hazard Quotient Level 3 or Cancer Risk Level 1E-04",
+ "Description": "This section contains calculated RMLs corresponding to either a 1E-4 risk level for carcinogens or a Hazard Quotient (HQ) of 3 for non-carcinogens.",
+ "Information": [
+ {
+ "ReferenceNumber": 24,
+ "Name": "Resident Soil (mg/kg)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1.90e+04"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 24,
+ "Name": "Industrial Soil (mg/kg)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2.50e+05"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 24,
+ "Name": "Tapwater (ug/L)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "2.70e+03"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 24,
+ "Name": "MCL (ug/L)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "6.00e+00"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 24,
+ "Name": "Chronic Oral Reference Dose (mg/kg-day)",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1.00e-01"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 24,
+ "Name": "Volatile",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Volatile"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 24,
+ "Name": "Mutagen",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Mutagen"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 24,
+ "Name": "Fraction of Contaminant Absorbed in Gastrointestinal Tract ",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "1"
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 24,
+ "Name": "Fraction of Contaminant Absorbed Dermally from Soil ",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "0.1"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "ICSC Environmental Data",
+ "Description": "Environmental effects of this chemical, provided by the International Labour Organization's (ILO's) International Chemical Safety Cards (ICSC).",
+ "URL": "https://www.ilo.org/safework/info/publications/WCMS_113134/lang--en/index.htm",
+ "Information": [
+ {
+ "ReferenceNumber": 47,
+ "Name": "",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The substance is toxic to aquatic organisms."
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Environmental Fate/Exposure Summary",
+ "Description": "This section summarizes the environmental fate/exposure of this chemical, including the natural and artificial sources of the chemical as a pollutant, its environmental fate, biodegradation, abiotic degradation, bioconcentration, etc.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate's production and use as a plasticizer in nitrocellulose lacquers, elastomers, explosives, nail polish and solid rocket propellants; solvent for perfume oils; perfume fixative; in textile lubrication agent, safety glass, printing inks, resin solvent, paper coatings, adhesives and insect repellent for textiles may result in its release to the environment through various waste streams. The US Congress has permanently banned dibutyl phthalate in any amount greater than 0.1 percentv in children's toys and certain child care articles. If released to air, a vapor pressure of 2.01X10-5 mm Hg at 25 °C indicates dibutyl phthalate will exist in both the vapor and particulate phases in the atmosphere. Vapor-phase dibutyl phthalate will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 42 hours. Particulate-phase dibutyl phthalate will be removed from the atmosphere by wet and dry deposition. Dibutyl phthalate contains chromophores that absorb at wavelengths >290 nm and, therefore, may be susceptible to direct photolysis by sunlight. If released to soil, dibutyl phthalate is expected to have low mobility based upon log Koc values of 3.05-3.14. Volatilization from moist soil surfaces is expected based upon a Henry's Law constant of 1.81X10-6 atm-cu m/mole. Dibutyl phthalate is not expected to volatilize from dry soil surfaces based upon its vapor pressure. In clay loam and sand, 98 and 66% loss occurred in 26 weeks, respectively, as a result of biodegradation. Indigenous soil from gardens degraded dibutyl phthalate 66% in 30 days. If released into water, dibutyl phthalate is expected to adsorb to suspended solids and sediment based upon the log Koc value of 3.8 in suspended solids. In natural waters, the biodegradation half-life of dibutyl phthalate is estimated as 1 day and anaerobic biodegradation half-life of 2 days. Dibutyl phthalate had average aerobic and anaerobic biodegradation half-lives of 2.9 and 14.4 days, respectively, calculated in 6 river sediment samples taken from Taiwan rivers. Volatilization from water surfaces is expected based upon this compound's Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 34 and 250 days, respectively. However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 22 years if adsorption is considered. BCFs of 3.1-176 were reported in various fish; BCF values of zero to 30 are low and from 100 to 1,000 are high. Hydrolysis half-lives of 3.4 years and 125 days at pH values of 7 and 8, respectively, have been estimated for dibutyl phthalate. Occupational exposure to dibutyl phthalate may occur through inhalation of dust or vapors and dermal contact with this compound at workplaces where dibutyl phthalate is produced or used. Monitoring data indicate that the general population may be exposed to dibutyl phthalate via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with consumer products containing dibutyl phthalate. (SRC)",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 59,
+ "Length": 14,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/nitrocellulose",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-44263835"
+ },
+ {
+ "Start": 443,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 628,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 729,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 929,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1010,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1175,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1380,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1626,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1677,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1684,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1865,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1955,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 2154,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 2363,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 2461,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 2796,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 2840,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 2963,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 3073,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 3153,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 3213,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Artificial Pollution Sources",
+ "Description": "Pollutants are emitted from a range of natural and man-made (artificial) sources. This section provides information on the artificial sources of the compound as a pollutant.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Lewis RJ Sr; Hawley's Condensed Chemical Dictionary. 15th ed. New York, NY: John Wiley and Sons, Inc. p. 398 (2007) (2) US CPSC; Phthalates. Washington, DC: US Consumer Products Safety Comm. Available from, as of March 11, 2015: https://www.cpsc.gov/en/Business--Manufacturing/Business-Education/Business-Guidance/Phthalates-Information/"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate's production and use as a plasticizer in nitrocellulose lacquers, elastomers, explosives, nail polish and solid rocket propellants; solvent for perfume oils; perfume fixative; in textile lubrication agent, safety glass, printing inks, resin solvent, paper coatings, adhesives and insect repellent for textiles(1) may result in its release to the environment through various waste streams(SRC). Effective January 1, 2012, the US Congress has permanently banned three types of phthalates (di-(2-ethylhexyl) phthalate (DEHP), dibutyl phthalate (DBP), or benzyl butyl phthalate) in any amount greater than 0.1 percent (computed for each phthalate, individually) in children's toys and certain child care articles. The ban applies to products manufactured after December 31, 2011 - Consumer Product Safety Improvement Act of 2008 (CPSIA)(2).",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 59,
+ "Length": 14,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/nitrocellulose",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-44263835"
+ },
+ {
+ "Start": 505,
+ "Length": 27,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/di-%282-ethylhexyl%29%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "multiple-CIDs"
+ },
+ {
+ "Start": 534,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DEHP",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8343"
+ },
+ {
+ "Start": 541,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 569,
+ "Length": 22,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/benzyl%20butyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-2347"
+ },
+ {
+ "Start": 651,
+ "Length": 9,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-181977"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Environmental Fate",
+ "Description": "Environmental fate describes where this chemical goes when it gets out into the environment and how it might be chemically transformed in that process. This section may provide information on multiple types of environmental fates of the chemical (e.g., aquatic fate, terrestrial fate, and atmospheric fate). ",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Swann RL et al; Res Rev 85: 17-28 (1983) (2) Kookana RS, Rogers SL; Rev Environ Contam Pollut 142: 13-64 (1995) (3) Zurmuehl T et al; J Contam Hydrol 8: 111-33 (1991) (4) Atlas E et al; Chemosphere 12: 1251-8 (1983) (5) Donovan SF; J Chromatogr A 749: 123-29 (1996) (6) Overcash MR et al; Behavior of organic priority pollutants in the terrestrial system. NTIS PB82-224 544 p 104 (1982) (7) Jianlong W et al; Chemosphere 35: 1747-54 (1997)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "TERRESTRIAL FATE: Based on a classification scheme(1), log Koc values of 3.05-3.14(2-3), indicate that dibutyl phthalate is expected to have low mobility in soil(SRC). Volatilization of dibutyl phthalate from moist soil surfaces is expected given a Henry's Law constant of 1.81X10-6 atm-cu m/mole(4). Dibutyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.01X10-5 mm Hg at 25 °C(5). In clay loam and sand, 98 and 66% loss occurred in 26 weeks, respectively, as a result of biodegradation(6). Indigenous soil from gardens degraded dibutyl phthalate 66% in 30 days(7).",
+ "Markup": [
+ {
+ "Start": 103,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 186,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 301,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 584,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Swann RL et al; Res Rev 85: 17-28 (1983) (2) Ritsema R et al; Chemosphere 18: 2161-75 (1989) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 7-4, 7-5, 15-1 to 15-29 (1990) (4) Atlas E et al; Chemosphere 12: 1251-8 (1983) (5) US EPA; EXAMS II Computer Simulation (1987) (6) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of March 9, 2015: https://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (7) Giam CS et al; pp. 67-142 in Handbook of Environmental Chemistry; Anthropogenic Substances Berlin, Germany: Springer-Verlag (1984) (8) Staples CA et al; Chemosphere 35:667-749 (1997) (9) NITE; Chemical Risk Information Platform (CHRIP). Biodegradation and Bioconcentration. Tokyo, Japan: Natl Inst Tech Eval. Available from, as of March 9, 2015: https://www.safe.nite.go.jp/english/db.html (10) Strier MP; Environ Sci Technol 14: 28-31 (1980) (11) Franke C et al; Chemosphere 29: 1501-14 (1994) (12) Capel PD, Larson SJ; Chemosphere 30: 1097-1107 (1995) (13) Yuan SY et al; Chemosphere 49: 1295-9 (2002)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "AQUATIC FATE: Based on a classification scheme(1), a log Koc value of 3.8 for suspended particulate matter in lake water(2), indicates that dibutyl phthalate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.81X10-6 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 34 and 250 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 22 years if adsorption is considered(5). A base-catalyzed second-order hydrolysis rate constant of 0.064 L/mole-sec(SRC) was estimated using a structure estimation method(6); this corresponds to half-lives of 3.4 years and 125 days at pH values of 7 and 8, respectively(6). BCFs of 12(7), 167(8) and 172(8) were reported in fathead minnows (Pimephales promelas), 3.1-176 in carp (Cyprinus carpio)(8-9) and 117 in bluegill fish (Lepomis macrochirus)(10). According to a classification scheme(11), BCF values of zero to 30 are low and from 100 to 1,000 are high. In natural waters, the biodegradation half-life of dibutyl phthalate is estimated as 1 day and anaerobic biodegradation half-life of 2 days(12). Dibutyl phthalate had an average aerobic and anaerobic biodegradation half-lives of 2.9 and 14.4 days, respectively, calculated in 6 river sediment samples taken from Taiwan rivers(13).",
+ "Markup": [
+ {
+ "Start": 115,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 140,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 239,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 523,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 621,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1307,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1401,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Bidleman TF; Environ Sci Technol 22: 361-367 (1988) (2) Donovan SF; J Chromatogr A 749: 123-29 (1996) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of March 9, 2015: https://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (4) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 8-12 (1990) (5) Kao AS; J Air Waste Manage Assoc 44: 683-96 (1994) (6) Cadogan DF et al; Prog Rubber Plast Technol 10: 1-19 (1994) (7) vanPul WAJ et al; Chemosphere 37: 113-41 (1998)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dibutyl phthalate, which has a vapor pressure of 2.01X10-5 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase dibutyl phthalate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 42 hours(SRC), calculated from its rate constant of 9.3X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase dibutyl phthalate may be removed from the air by wet and dry deposition(SRC). Dibutyl phthalate contains chromophores that absorb at wavelengths >290 nm(4) and, therefore, may be susceptible to direct photolysis by sunlight(SRC). Dibutyl phthalate had an atmospheric lifetime (time it takes for the reaction concentration to decrease 37%) of <1 day(5) and a photodegradation half-life of <2 days(6). Dibutyl phthalate had an atmospheric residence half-life of 34 hours over land and 19 hours over sea and a photodegradation half-life of 43 hours(7).",
+ "Markup": [
+ {
+ "Start": 124,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 293,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 635,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 713,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 865,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Environmental Biodegradation",
+ "Description": "This section provides information on environmental biodegradation for this compound. Biodegradation is the breakdown of organic matter by microorganisms, such as bacteria and fungi. An important measure of biodegradability of wastewater is the biochemical oxygen demand (BOD), which is the amount of dissolved oxygen (DO) needed (i.e. demanded) by aerobic biological organisms to break down organic material present in a given water sample at certain temperature over a specific time period. ",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Sugatt RH et al; Appl Environ Microbiol 47: 601-6 (1984) (2) Patterson JW, Kodukola PS; Chem Ind 15: 609-10 (1981) (3) Davis EM et al; in Biodeterioration Symp. Oxley TA, Barry S. eds., New York, NY: Wiley-Interscience (1983) (4) Wang J et al; Chemosphere 31: 4051-56 (1995) (5) Wang X, Grady CPL; Wat Environ Res 67: 863-71 (1995) (6) O'Conner OA et al; Environ Toxicol Chem 8: 569-76 (1989) (7) Byrns G; Water Res 35: 2523-33 (2001) (8) Scholz N et al; Bull Environ Contam Toxicol 58: 527-34 (1997) (9) Tabak HH et al; Wat Sci Tech 26: 763-72 (1992) (10) Wang J et al; Environ Int 22: 737-41 (1996) (11) Wang J et al; Process Biochem (Oxford) 32: 567-71 (1997) (12) NITE; Chemical Risk Information Platform (CHRIP). Biodegradation and Bioconcentration. Tokyo, Japan: Natl Inst Tech Eval. Available from, as of March 9, 2015: https://www.safe.nite.go.jp/english/db.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "AEROBIC: In a shake flask biodegradation test, after 28 days 68 to >99% of the dibutyl phthalate had disappeared and 80.6 to >99% was converted to CO2 with a lag period averaged 4.5 days(1). Dibutyl phthalate was removed 60-70% in three treatment plants using activated sludge(2). A synthetic waste feedstock degraded 94% of an initial concentration of dibutyl phthalate in 12 days(3). Microbial cultures isolated from an industrial wastewater facility completely degraded dibutyl phthalate within 40 to 220 days depending upon the strain of the microorganisms used and concentration of the dibutyl phthalate sample(4). Batch experiments using enriched microbial cultures completely degraded dibutyl phthalate in 15 hours(5). Enriched microbial cultures isolated from a wastewater treatment facility resulted in 85% degradation of a 200 mg/L sample of dibutyl phthalate in 90 days(6). Dibutyl phthalate had a half-life of 1-23 days in wastewater treatment plants(7). Dibutyl phthalate was degraded 81% in 28 days using the modified Sturm test(8). Dibutyl phthalate, present at 100 mg/L, had a biodegradation rate of 0.17/hour at 25 °C using an activated sludge inoculum at 30 mg/L taken from Little Miami wastewater treatment plant in Cincinnati, OH(9). Dibutyl phthalate, present at 10-100 mg/L, biodegraded >90% in 8 days using an inoculum of 6 g/L of activated sludge, giving a half-life of 45.6 hours(10). Dibutyl phthalate had biodegradation half-lives in acclimated sludge of 45.3, 45.3, 46.8, and 47.5 hours at starting concentrations of 50, 100, 150, and 200 mg/L, respectively(11). Dibutyl phthalate, present at 100 mg/L, reached 69% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(12).",
+ "Markup": [
+ {
+ "Start": 79,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 191,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 353,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 473,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 591,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 692,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 852,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 885,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 967,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1047,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1254,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1410,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1591,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Overcash MR et al; Behavior of organic priority pollutants in the terrestrial system. NTIS PB82-224 544 p 104 (1982) (2) Bouwer EJ et al; Water Res 15: 151-9 (1981) (3) Hutchins SR et al; Environ Toxicol Chem 2: 195-216 (1983) (4) Inman JC et al; J Environ Sci Health Part B Pestic Food Contam Agric Wastes 19: 245-57 (1984) (5) Jianlong W et al; Chemosphere 35: 1747-54 (1997) (6) Brisbin TD et al; Priority pollutants in the Cedar Creek wastewater-reclamation-recharge facilities. Cincinnati,OH: USEPA, Off Res Devel. USEPA-600/2-84-061 (NITS PB84159904) (1984)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "AEROBIC: In Davidson clay loam and Lakeland sand, 98 and 66% loss occurred in 26 weeks, respectively, as a result of biodegradation(1). While 86% removal of dibutyl phthalate in secondary sewage occurred in a well acclimated 2.5 m loamy sand soil column(2), no removal occurred in another laboratory study of a rapid infiltration site employing 1 m columns(3). The feed rate was greater in the first case and the acclimation may have been longer(SRC). Carboxyl-labeled (14)C dibutyl phthalate studied in soil incubation experiments conducted under laboratory conditions had a lag phase of 10-20 days, approximately 90% of dibutyl phthalate added to soils at rates of 0.1-0.4% was decomposed within 80 days under aerobic and anaerobic conditions(4). Decomposition of dibutyl phthalate was enhanced in soils by increasing soil pH from 5.2 to 7.0, by adding organic matter and by elevating the temperature from 23 °C to 30 °C(4). Indigenous soil from Tsinghua University gardens, Beijing China, and the same soil amended with activated sludge degraded dibutyl phthalate 66 and 92%, respectively, in 30 days(5). Dibutyl phthalate removal of 93 to >99% was observed at the Cedar Creek Wastewater Reclamation - Recharge Facilities, Nassau County, NY(6).",
+ "Markup": [
+ {
+ "Start": 157,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 475,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 622,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 766,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1050,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1109,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Hattori Y et al; Pollut Control Cent Ooaki Prefect Mizu Shori Gigutsu 16: 951-4 (1975) (2) Schouter MJ et al; Inter J Environ Anal Chem 7: 12-23 (1979) (3) Johnson BT, Lulves W; J Fish Res Board Can 32: 333-9 (1975) (4) Ritsema R et al; Chemosphere 18: 2161-75 (1989) (5) Kondo M et al; Eisei Kagaku 34: 188-95 (1988) (6) Capel PD, Larson SJ; Chemosphere 30: 1097-1107 (1995) (7) Ortego-Calvo JJ et al; Environ Sci Technol 29: 2222-25 (1995) (8) Kaplan AM; Devel Indust Med 18: 203-11 (1977) (9) Chauret C et al; Ground Water 34: 791-4 (1996) (10) Yuan SY et al; Chemosphere 49: 1295-9 (2002)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "AEROBIC: Dibutyl phthalate was biodegraded 100% in 4 days in water from an urban river in Japan(1). Utilizing water from the Rhine, Meuse, and Ijssel Rivers in the Netherlands, 90% degradation occurred in three days(2). In an aerobic pond water-sediment mixture, 97% degradation of dibutyl phthalate was noted in 5 days with intermediate degradation products of mono-n-butyl ester and phthalic acid(3). Dibutyl phthalate was completely degraded by Rhine River water within 10 days(4). A die-away test using river and seawater degraded 75-80% dibutyl phthalate in 3 days(5). In natural waters, the biodegradation half-life of dibutyl phthalate is estimated as 1 day(6). An aquifer slurry resulted in 9.2% mineralization of dibutyl phthalate in 27.5 hours(7). Dibutyl phthalate was degraded 53% in 24 hours and 98% in 5 days in fresh water hydrosoil system(8). Dibutyl phthalate had a biodegradation rate of 2.05 nmoles/g of sediment/day at 10 °C in Borden, Canada(9). Dibutyl phthalate had an average aerobic biodegradation half-life of 2.9 days calculated in 6 river sediment samples taken from Taiwan rivers(10).",
+ "Markup": [
+ {
+ "Start": 9,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 61,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 111,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 240,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 283,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 386,
+ "Length": 13,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/phthalic%20acid",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-1017"
+ },
+ {
+ "Start": 404,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 461,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 543,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 626,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 723,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 759,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 833,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 860,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 968,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Chang BV et al; Chemosphere 69: 1116-23 (2007)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "AEROBIC: Using sewage sludge from a waste water treatment plant in Taoyaun, Taiwan, aerobic biodegradation rate constants under varying pH and temperature were analyzed for dibutyl phthalate(1):[Table#2427]",
+ "Markup": [
+ {
+ "Start": 194,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2427]"
+ },
+ {
+ "Start": 42,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 173,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2427]",
+ "Value": {
+ "Binary": [
+ "InBIIiwiVGVtcCAoZGVnIEMpIiwiRGVnIHJhdGUgKGsvZGF5KSIsIkhhbGYtbGlmZSAoZGF5cykiCiIzIiwiMzAiLCIwLjE1MyIsIjQuNSIKIjUiLCIzMCIsIjAuMjc3IiwiMi41IgoiNyAoY29udHJvbDsgNTAgbWcva2cpIiwiMzAiLCIwLjM3OSIsIjEuOCIKIjkiLCIzMCIsIjAuMzAxIiwiMi4zIgoiMTEiLCIzMCIsIjAuMTQ1IiwiNC44IgoiNyIsIjIwIiwiMC4zNDciLCIyLjAiCiI3IiwiMzAiLCIwLjI4OSIsIjIuNCIKIjciLCI0MCIsIjAuMjIyIiwiMy4xIgoiNyIsIjU1IiwiMC4xOTMiLCIzLjYiCg=="
+ ],
+ "MimeType": "text/csv"
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Environmental Biodegradation (Complete) data for DIBUTYL PHTHALATE (6 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 104,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Environmental-Biodegradation-(Complete)"
+ },
+ {
+ "Start": 58,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Environmental Abiotic Degradation",
+ "Description": "Abiotic degradation is a process by which a chemical substance is broken down into smaller molecules by non-biotic means (e.g., hydrolysis, photolysis, and oxidation).",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of March 9, 2015: https://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Kao AS; J Air Waste Manage Assoc 44: 683-96 (1994) (3) Cadogan DF et al; Prog Rubber Plast Technol 10: 1-19 (1994) (4) vanPul WAJ et al; Chemosphere 37: 113-41 (1998) (5) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 8-12 (1990)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The rate constant for the vapor-phase reaction of dibutyl phthalate with photochemically-produced hydroxyl radicals has been estimated as 9.3X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 42 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.064 L/mole-sec(SRC) was estimated using a structure estimation method(1); this corresponds to half-lives of 3.4 years and 125 days at pH values of 7 and 8, respectively(1). Dibutyl phthalate had an atmospheric life time of <1 day(2) and a photodegradation half-life of <2 days(3). Dibutyl phthalate had an atmospheric residence half-life of 34 hours over land and 19 hours over sea and a photodegradation half-life of 43 hours(4). Dibutyl phthalate contains chromophores that absorb at wavelengths >290 nm(5) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).",
+ "Markup": [
+ {
+ "Start": 50,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 591,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Environmental Bioconcentration",
+ "Description": "This section provides information on environmental bioconcentration for this compound. Bioconcentration is the accumulation of a chemical in or on an organism when the source of chemical is solely water. Bioconcentration is a term that was created for use in the field of aquatic toxicology. Bioconcentration can also be defined as the process by which a chemical concentration in an aquatic organism exceeds that in water as a result of exposure to a waterborne chemical.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Giam CS et al; pp. 67-142 in Handbook of Environmental Chemistry; Anthropogenic Substances Berlin, Germany: Springer-Verlag (1984) (2) Staples CA et al; Chemosphere 35: 667-749 (1997) (3) NITE; Chemical Risk Information Platform (CHRIP). Biodegradation and Bioconcentration. Tokyo, Japan: Natl Inst Tech Eval. Available from, as of March 9, 2015: https://www.safe.nite.go.jp/english/db.html (4) Strier MP; Environ Sci Technol 14: 28-31 (1980) (5) Franke C et al; Chemosphere 29: 1501-14 (1994) (6) Zaroogian GE et al; Environ Toxicol Chem 4: 3-12 (1985) (7) Teil M et al; Arch Environ Contam Toxicol 63:101-13 (2012) (8) Cai QY et al; Bull Environ Contam Toxicol 77: 411-8 (2006) (9) Chi J; Chemosphere 77: 48-52 (2009) (10) Chi J et al; Bull Environ Contam Toxicol 77: 21-9 (2006)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Experimental BCF values of 12(1), 167(2) and 172(2) were reported for fathead minnows (Pimephales promelas) for dibutyl phthalate. BCF values of 5.2-176 and 3.1-21.2 were reported using carp (Cyprinus carpio) which were exposed over an 8-week period to dibutyl phthalate concentrations of 0.015 and 0.05 ppm, respectively(3). Other reported BCF values for dibutyl phthalate were 3.6 in carp(2) and 117 in bluegill fish (Lepomis macrochirus)(4). According to a classification scheme(5), BCF values of zero to 30 are low and from 100 to 1,000 are high(SRC). The log BCF of oysters exposed to 100 ug/L of dibutyl phthalate for 1 day was measured as 1.32(6). Dibutyl phthalate BCF values of 22 and 42 were reported for oysters(1). Experimental BCF values of 1,500, 31 and 3 were reported in shrimp for dibutyl phthalate(1). Other BCF values of 662, 624 and 3399 were reported for dibutyl phthalate in crustaceans, insects and algae, respectively(2). Biota-sediment accumulation factors for dibutyl phthalate were 5.5, 6.0 and 11.8 in roach (Rutilus rutilus), chub (Leuciscus cephalus) and perch (Perca fluviatilis), respectively; fish were collected from the Orge River, France from Jul 2009 to Apr 2010(7). BCFs of 0.02-1.99 were reported for dibutyl phthalate in water spinach (Ipomoea aquatica) grown under different conditions on sludge from waste water treatment plants in China(8). BCFs of 4.82-83.65 L/kg were reported for dibutyl phthalate in the submerged water plant Potamogeton crispus L.; plants were grown in the Haihe River, China from Mar to May 2008(9). The BCF of dibutyl phthalate in the algae, Chlorella vulgaris was a maximum of 10,800 when grown in lake water(10).",
+ "Markup": [
+ {
+ "Start": 112,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 253,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 356,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 602,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 655,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 798,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 876,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 986,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1240,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1261,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1348,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1426,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1461,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1577,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1671,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Soil Adsorption/Mobility",
+ "Description": "Sorption to soils and sediments is an important factor on the transport and fate of organic contaminants in the environment. The soil/water adsorption coefficient, also known as solid-water distribution coefficient (Kd), measures the amount of chemical substance adsorbed onto soil per amount of water. Since adsorption occurs predominantly by partition into the soil organic matter, it is more useful to normalize the Kd value to the organic carbon content of a soil and express the distribution coefficient in Koc (organic carbon normalized distribution coefficient). The greater the Kd (or Koc) value, the less likely a chemical will leach or contribute to runoff. A very high value means it is strongly adsorbed onto soil and organic matter and does not move throughout the soil.",
+ "URL": "https://toxics.usgs.gov/pubs/FS-087-00/fs-087-00.pdf",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Kookana RS, Rogers SL; Rev Environ Contam Pollut 142: 13-64 (1995) (2) Russel DJ, McDuffie B; Chemosphere 15: 1003-21 (1986) (3) Zurmuehl T et al; J Contam Hydrol 8: 111-33 (1991) (4) Zurmuehl T et al; J Contam Hydrol 8: 111-33 (1991) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Ritsema R et al; Chemosphere 18: 2161-75 (1989)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "A log Koc value of 3.14 was determined from measurements on soil samples from Broome County, NY(1-2). An experimental log Koc of 3.05 was determined from unsaturated soil columns(3). Dibutyl phthalate had measured log Koc values of 3.05-3.06 in Typic Haplaquept type loamy, sandy soil(4). According to a classification scheme(5), these Koc values suggest that dibutyl phthalate is expected to have low mobility in soil(SRC). A mean sediment log Koc value of 3.8 was calculated from the mean dibutyl phthalate concentration in water and suspended particulate matter from Lake Yssel, The Netherlands(6).",
+ "Markup": [
+ {
+ "Start": 183,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 360,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 491,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 526,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Volatilization from Water/Soil",
+ "Description": "Volatilization of chemicals from water/soil is the transfer of the chemical as a gas through the water-air or soil-air interface under environmental conditions",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Atlas E et al; Chemosphere 12: 1251-8 (1983) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Donovan SF; J Chromatogr A 749: 123-29 (1996)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The Henry's Law constant for dibutyl phthalate is reported as 1.81X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that dibutyl phthalate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 34 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 250 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 22 years if adsorption is considered(3). Dibutyl phthalate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dibutyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.01X10-5 mm Hg(4).",
+ "Markup": [
+ {
+ "Start": 29,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 131,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 180,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 539,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 637,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 752,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 864,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Environmental Water Concentrations",
+ "Description": "Concentrations of this chemical in water in various stages of hydrologic cycle (e.g., drinking water, ground water, surface water, and rain/snow).",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Hutchins SR et al; Environ Toxicol Chem 2: 195-216 (1983) (2) Dunlap WJ et al; pp. 96-110 in Organic pollutants contributed to groundwater by a landfill USEPA-600/9-76-004 (1976) (3) Barber LB; pp. 73-120 in Sewage Contaminated Groundwater Cape Cod Massachusetts. Lesage S, Jackson RE eds, NY, NY: Marcel Dekker Inc (1992) (4) Guardiola J et al; Water Supply 7: 11-16 (1989) (5) Juhler RK, Felding G; Water Air Soil Pollut 149: 145-61 (2003) (6) Sanchez-Avila J et al; Sci Total Environ 407: 4157-67 (2009)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "GROUNDWATER: Groundwater underlying 2 rapid infiltration sites was contaminated with dibutyl phthalate, concentrations were 0.73-2.38 ppb(1). Dibutyl phthalate was identified, not quantified, in the groundwater of a landfill in Norman, OK(2). Dibutyl phthalate was detected in groundwater in Cape Cod, MA at 0-450 ng/L(3). Dibutyl phthalate was detected in groundwater samples near Barcelona, Spain at not detected to 380 ng/L(4). Dibutyl phthalate was detected in ground water samples at 44 of 725 locations taken by the Danish National Monitoring Program 1993 to 2001 at a maximum of 8.1 ug/L(5). Dibutyl phthalate was not detected (detection limit 5 ng/L) in a ground water sample collected in Catalonia, Spain in Nov 2007(6).",
+ "Markup": [
+ {
+ "Start": 85,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 142,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 243,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 323,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 431,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 472,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 599,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 671,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Keith LH et al; pp. 329-73 in Identification and analysis or organic pollutants in water. Keith LH ed. Ann Arbor,MI: Ann Arbor Press (1976) (2) Burmaster DE; Environ 24: 6-13, 33-6 (1982) (3) Horibe N et al; Gifu-Ken Eisi Kenkyusho Ho 19: 20-5 (1974) (4) Akiyama T et al; J UOCH 2: 285-300 (1980) (5) Fielding M et al; Organic micropollutants in drinking water. Water Res Ctr Medmenham UK TR-159 p. 49 (1981) (6) Davies K; Adv Environ Sci Technol 23: 525-40 (1990) (7) Giam CS et al; pp. 67-142 in Handbook of Environmental Chemistry; Anthropogenic Substances Berlin, Germany: Springer-Verlag (1984) (8) Goncharuk VV, Milyukin MV; pp 35-56 in Bioavail Organ Xenobio Environ, Baveye PH et al, eds, The Netherlands: Kluwer Academic Press (1999) (9) Loraine GA, Pettigrove ME: Environ Sci Technol 40: 687-95 (2006) (10) Al-Mudhaf H et al; Sci Total Environ 407: 1658-68 (2009) (11) Li B et al; Bull Environ Contam Toxicol 88: 880-4 (2012)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "DRINKING WATER: Dibutyl phthalate was detected in 3 drinking water supplies in New Orleans, LA at 0.1-0.36 ppb(1) and in a drinking water supply in New York at 470 ppb(2). Dibutyl phthalate was identified, not quantified, in 8 drinking water works in Japan(3). Dibutyl phthalate was detected at 190-240 ppb in tap water from Japan(4). Dibutyl phthalate was identified, not quantified, in 12 of 14 drinking water supplies in England(5). Dibutyl phthalate was detected in the drinking water supply of Toronto, Canada at a mean concentration of 2.547 ug/L(6). Dibutyl phthalate was reported in the drinking water of Tokyo, Japan at 2.3 ug/L(7). Dibutyl phthalate was found in Dnieper River Basin, Ukraine at 5.16-8.97 ug/L(8). Dibutyl phthalate was detected in 1 of 15 finished drinking water samples from four water filtration plants in San Diego County, CA at a concentration of 2.73 ug/L, sample dates were Aug 2001 to Jun 2002(9). Drinking water samples collected from homes in Kuwait from Dec 2003 to May 2005 contained dibutyl phthalate at 0.10-1.50 ug/L in 53.3% of 303 samples(10). Dibutyl phthalate was not detected in 113 samples of 71 brands of bottled water purchased from 16 different nations(10). Drinking water samples collected Oct 2010 from five facilities in Jiangsu Province, China, contained 10-82 ng/L of dibutyl phthalate(11).",
+ "Markup": [
+ {
+ "Start": 9,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/WATER",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 16,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 61,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 132,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 172,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 236,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 261,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 314,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 335,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 406,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 436,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 483,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 557,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 604,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 642,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 724,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 784,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 808,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 941,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1022,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1087,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1161,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1217,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1323,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Sheldon LS, Hites RA; Environ Sci Technol 12: 1188-94 (1978) (2) Goodley PC, Gordon M; New York Acad Sci 37: 11-5 (1976) (3) Konasewich D et al; States report on organic and heavy metal contaminants in the Lakes Erie, Michigan, Huron and Superior Basins. Great Lakes Qual Rev Board (1978) (4) Mayer FL et al; Nature 238: 411-3 (1972) (5) Hites RA; J Chromatogr Sci 11: 570-4 (1973) (6) Peterman PH, Delfino JJ; Biomed Environ Mass Spectrum 19: 755-70 (1990) (7) Germain A, Langlois C; Water Pollut Res J Con 23: 62-14 (1988) (8) Solis ME et al; Arch Environ Contam Toxicol 53: 426-34 (2007)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "SURFACE WATER: Dibutyl phthalate was detected in the Delaware River between Marcus Hook, PA and Trenton, NJ at 0.1-0.6 ppb(1), the Lower Tennessee River below the Calvert City, KY chemical complex at 42 ppb(2), the St. Clair River Basin, Michigan at 1-2 ppb(3), Missouri River, McBaine, MO at 0.09 ppb(4) and the Monatiquote River, Braintree MA at 1-30 ppb(5). Dibutyl phthalate was detected at 2 sites in Lake Erie at 1 ppb(3), 9 sites in Lake Michigan at 1-4 ppb(3) and 2 sites in Lake Huron at 0.04-2 ppb(3-4). Dibutyl phthalate was identified, not quantified, in the Fox River at Green Bay, WI(6). Dibutyl phthalate was not detected in 357 one-liter samples taken from the St. Lawrence River between Cornwall and Quebec, Canada; 50-70 liter samples contained 15 ng/L and 200 liter samples contained 0.04 ng/L(7). Dibutyl phthalate was detected in 94 and 100% of 16 and 15, samples collected from Eleven Points and the north fork of White River, MO, at 0.3-1364 and 0.3-4141 ng/L, respectively; samples were collected Aug 2003 to Nov 2004(8).",
+ "Markup": [
+ {
+ "Start": 8,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/WATER",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 15,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 361,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 514,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 602,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 817,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Fatoki OS, Vernon F; Sci Tot Environ 95: 227-32 (1990) (2) Preston MR, Al-Omran LA; Marine Pollut Environ 17: 548-53 (1986) (3) Preston MR, Al-Omran LA; Environ Pollut 62: 183-93 (1989) (4) Matthiessen P et al; Mar Pollut Bull 26: 90-5 (1993) (5) Schouter MJ et al; Int J Environ Anal Chem 7: 13-23 (1979) (6) Ritsema R et al; Chemosphere 18: 2161-75 (1989) (7) Zoeteman BCJ et al; Chemosphere 9: 231-49 (1980) (8) Fromme H et al; Water Res 36: 1429-38 (2002) (9) Giger W, Roberts PV; in Water Pollut Microbiol, Mitchell R ed, New York, NY: Wiley 2: 135-75 (1978) (10) Cremonesi A et al; Org Micropollut Aquat Environ 6: 360-65 (1990) (11) Huang Z et al; Bull Environ Contam Toxicol 71: 1026-33 (2003) (12) Wang H et al; Chemosphere 50: 557-62 (2003) (13) Li B et al; Bull Environ Contam Toxicol 88: 880-4 (2012) (14) Yoon J et al; Organohalogen Compounds 66: 1436-40 (2004) (15) Morita M et al; Tokyo Toritsu Eisi Kenkyusho Kenkhyo Nempo 24: 357-62 (1973) (16) Shobuya S; pp 63-72 in Numazu Kozyo Koto Semmon Gakko Kankyu Hokoku (1979) (17) Ishizuka S; Aomori-Ken Kankyo Hoken Senta Kenkyu Hokoky 5: 26-35 (1995) (18) Tan GH; Bull Environ Contam Toxicol 54: 171-76 (1995)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "SURFACE WATER: Dibutyl phthalate was detected in the Irwell and Etherow Rivers in England at 6-33.5 ug/L(1). Dibutyl phthalate was detected at 0.114-2.116 ug/L(2) and 0.541-1.805 ug/L(3) in the Mersey Estuary in the United Kingdom. United Kingdom estuaries sampled May 1988 to Dec 1989 contained 4.3, 0.71, 0.2, <0.05, 0.16, 0.2, 0.43, and 4.8 mg/L of dibutyl phthalate in the Tyne, Tees, Humber, Thames, Solent, Plymouth Sound, Dee and Mersey river subsurface samples, respectively(4). Dibutyl phthalate was detected in the Rhine and Meuse Rivers in the Netherlands at 0-2.8 ppb(5). Dibutyl phthalate was detected in the Yssel River (2.5 ug/L) and the Rhine River (0.1-1.2 ug/L) in the Netherlands(6). Dibutyl phthalate was detected at 1.0 ppb in the Rhine River at Lobith, The Netherlands(7). Dibutyl phthalate was found in 116 surface water samples at 0.12-8.8 ug/L from Germany(8). Dibutyl phthalate was identified in the River Glatt, Switzerland(9). Dibutyl phthalate was identified, not quantified, in the Po and Lambro Rivers in Italy(10). Dibutyl phthalate was found in Huanchao River, Tanking River near a factory, and the middle of Tanking River at 0.440, 0.218, and 0.310 ug/L, respectively, in Jiangsu Province, China(11). In samples taken from 12 sites on Taihu Lake, China in 2000 dibutyl phthalate was detected in 91.67% at 0.429-17.1 ppb(12). Surface water samples collected Oct 2010 from the Jiangsu Province, China, contained 16-5857.5 ng/L of dibutyl phthalate(13). Dibutyl phthalate was detected in 16 of 43 surface water samples collected through out Korea in 2002 at a maximum of 1.1 ug/L(14). Dibutyl phthalate was detected in the Tama River at 0.71-3.14 ppb(15) and Shizuoka River at an average of 1.39 ppb(16), both rivers in Japan. Dibutyl phthalate was detected in Tuchibuchi River in Japan(17). Dibutyl phthalate was detected in the Klang River in Malaysia at 0.8-4.8 ug/L(18).",
+ "Markup": [
+ {
+ "Start": 8,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/WATER",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 15,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 109,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "For more Environmental Water Concentrations (Complete) data for DIBUTYL PHTHALATE (7 total), please visit the HSDB record page.",
+ "Markup": [
+ {
+ "Start": 110,
+ "Length": 16,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922#section=Environmental-Water-Concentrations-(Complete)"
+ },
+ {
+ "Start": 23,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 64,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/DIBUTYL%20PHTHALATE",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Effluent Concentrations",
+ "Description": "Concentration of this compound in effluent. Effluent is wastewater (treated or untreated) discharged into surface waters from a treatment plant, sewer, or industrial outfall. ",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Bhattacharya SK et al; USEPA Risk Reduction Eng Lab, Cincinnati, OH USEPA/600/S2-89/026 (1990) (2) Brown KW, Donnelly KC; Haz Waste Haz Mater 5: 1-30 (1988) (3) Christensen TH et al; Crit Rev Environ Sci Technol 24: 194-202 (1994) (4) Eckel WP et al; Ground Water 31: 801-804 (1993) (5) Oman C, Hynning PA; Environ Pollut 80: 265-71 (1993) (6) Bauer MJ, Herrmann R; Sci Total Environ 208: 49-57 (1997) (7) Nelson SM et al; Bull Environ Contam Toxicol 52: 574-81 (1994) (8) Lincoln JD et al; Environ Sci Technol 41: 2572-8 (2007)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "An average concentration of 428 ug/L of dibutyl phthalate was detected in the leachate of a wastewater treatment plant(1). Dibutyl phthalate was detected in the leachate of an industrial landfill at 0.035 mg/L and in a municipal landfill at 0.011 mg/L(2). Dibutyl phthalate is commonly found in landfill leachate at 5-15 ug/L(3). Dibutyl phthalate was identified, not quantified, in the leachate of a Florida landfill(4). Dibutyl phthalate was detected in the leachate of a landfill in Sweden at <5-14 ug/L(5). Dibutyl phthalate was found in leachate from household waste at concentrations of 5.6 mg/kg from food waste and 1473 mg/kg from compound waste material(6). Dibutyl phthalate was tested for in tire leachate water but not detected (detection limit 1.0 ug/L)(7). Dibutyl phthalate was detected in leachate tests of end of life cell phones at 0-40 mg/kg(8).",
+ "Markup": [
+ {
+ "Start": 40,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 123,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 256,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 330,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 422,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Kookana RS, Rogers SL; Rev Environ Contam Pollut 142: 13-64 (1995) (2) Tomson MB et al; Water Res 15: 1109-16 (1981) (3) Stubin AI et al; Water Environ Res 68: 1037-44 (1996) (4) Clark LB et al; Res J WPCF 63: 104-13 (1991) (5) Berset JD, Etter-Holzer R; J AOAC Int 84: 383-91 (2001) (6) Hope BK et al; Sci Total Environ 417-418: 263-72 (2012) (7) Law RJ et al; Wat Sci Tech 24: 127-34 (1991) (8) Matthiessen P et al; Mar Pollut Bull 26: 90-5 (1993) (9) Castillo M et al; Environ Sci Technol 32: 2180-4 (1998) (10) Petrovic M, Barcelo D; Anal Chem 72: 4560-7 (2000) (11) Plumb RH Jr; IN: Environ Sci Pollut Control Ser, 4: 173-97 (1992) (12) Wilkie PJ et al; Wat Sci Tech 34: 63-70 (1996) (13) Sanchez-Avila J et al; Sci Total Environ 407: 4157-67 (2009)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate was detected in the effluent of pulp mills at 3 g/ton of pulp(1). Dibutyl phthalate was detected at 0.25 ppb in the effluent of sewage in Phoenix, AZ(2). Dibutyl phthalate was detected in New York City wastewater at 3-4 ug/L(3) and in the effluent of 3 publicly owned treatment works in New Jersey at 5-103 ppb(4). Dibutyl phthalate was found in 4 domestic sewage samples at 604, 228, 1257, and 253 ug/kg.dm; 6 domestic sewage samples with storm runoff and small industrial effluent at 393, 535, 356, 1025, 430, and 308 ug/kg.dm; 2 domestic sewage samples with storm runoff and large industrial effluent at 562 and 193 ug/kg.dm(5). Dibutyl phthalate was detected in 7 of 102 effluent samples from 52 treatment facilities located throughout Oregon at 380-770 ng/L; samples were collected the summer and fall of 2010(6). Dibutyl phthalate was found at an average of 2580 ng/cu dm in a dredged spoil dumping ground and 140 ng/cu dm at a sewage sludge dumping ground in the North Sea(7). Liverpool Bay, England dredged spoil disposal sediment and sewage sludge disposal sediment sampled May 1988 to Dec 1989 contained 9.6 and 0.14 mg/L of dibutyl phthalate, respectively(8). Dibutyl phthalate was not found in 3 waste water effluents from a petrochemical plant, but was found in one of two industrial landfill leachates at 0.78 ug/L(9). Dibutyl phthalate was found in 5 sewage sludges; 3 in the Catalonian region of Spain at 2, 0.25 and 0.6 mg/kg, one from Dresdin, Germany at 9.7 mg/kg and one in Porto, Portugal at 0.7 mg/kg(10). Dibutyl phthalate was detected at 56 disposal sites of 500 tested from 1981-1986(11). Dibutyl phthalate was detected in sewage treatment effluents at <1-8 ug/L in a case study in Melbourne, Australia(12). Dibutyl phthalate was detected at 3.24-28.7 ug/L in 4 of 13 sampling points, representing domestic, industrial and mixed sewage input into the Mataro's waste water treatment plant, Catalonia, Spain, culminating to an influent concentration of 46.8 ug/L; effluent concentration was <5 ng/L; samples were collected Nov 21 and 28, 2007(13).",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 84,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 172,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 333,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 650,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 837,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1153,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1189,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1232,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1351,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1546,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1632,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Dempsey CR; J Air Waste Manage Assoc 43: 1374-79 (1993) (2) Jay K, Stieglitz L; Chemosphere 30: 1249-60 (1995) (3) Otson R et al; pp. 667-85 in Polynuclar Hydrocarbons. Cooke M et al eds, Columbus,OH: Battelle Press (1991) (4) Nishikawa H et al; Chemosphere 25: 1953-60 (1992) (5) Otson R et al; pp667-85 in Polynucl Aromat Hydrocarbons: Meas, Means, Metab, Int Symp 11th 1987, Cooke M et al, eds, Columbus, OH: Battelle Press (1991) (6) Purvis CR et al; Environ Sci Technol 34: 1653-8 (2000) (7) Shane BS et al; Arch Environ Contam Toxicol 19: 665-73 (1990) (8) Wienecke J et al; Chemosphere 30: 907-13 (1995) (9) Hao OJ et al; J Amer Water Works Assoc 84: 92-8 (1992) (10) Wolf M et al; Chemosphere 41: 693-9 (2000)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Hazardous waste incinerators released 54 tons of dibutyl phthalate in the US in 1990(1). Dibutyl phthalate was detected in the effluent of a waste incinerator in Germany at 7.66 ug/cu m(2). Dibutyl phthalate was detected in the emissions of cigarette smoke (45 ppm) and wood smoke (8 ppm)(3). Dibutyl phthalate was found in incinerator exhaust gas from waste plastics at concentrations of 260 ug/cu m at primary burning temperatures of 624-661 °C and secondary burning temperatures of 654-682 °C and at 120 ug/cu m at primary burning temperatures of 774-820 °C and secondary burning temperatures of 905-940 °C(4). Dibutyl phthalate was found in wood smoke at 8 ppm, in samples collected Dec 11-18, 1986 in Whitehorse, Yukon, Canada(5). Dibutyl phthalate was identified in wood smoke from wet oak and seasoned Douglas fir(6). Dibutyl phthalate was detected in the ashes of a municipal refuse incinerator at 0-1200 ug/kg(7). Dibutyl phthalate was found in flue gas from a hazardous waste incinerator in Biebesheim, Germany at 388.97 and 313.60 ng/cu m(8). Dibutyl phthalate was found in fabric water storage tanks at 920 ug/L(9). Dibutyl phthalate was identified in volatiles emitted from operating television sets(10).",
+ "Markup": [
+ {
+ "Start": 49,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 89,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 190,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 293,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 614,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 736,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 825,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 923,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1054,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1092,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1128,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Sediment/Soil Concentrations",
+ "Description": "Concentrations of this compound in sediment/soil. ",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Lopes MJ, Furlong ET, Environ Sci Technol 20: 727-37 (2001) (2) Lopes MJ et al; in Environ Toxicol Risk Assess: V7 ASTM STP 1333, Little EE et al eds, Amer Soc Testing Materials pp 105-19 (1997) (3) Elder JF, Dresler PV; Environ Pollut 49: 117-132 (1988) (4) Iannuzzi MJ et al; Chemosphere 34: 213-31 (1997) (5) Lin ZP et al; Environ Sci Technol 37: 2100-8 (2003) (6) McDowell DC, Metcalfe CD; J Great Lakes Res 27: 3-9 (2001)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "SEDIMENT: Dibutyl phthalate was detected in 4.8% of 536 sites sampled Aug 1992 to Sept 1995 in 20 major river basins across the US with a maximum concentration of 260 ug/kg dry weight(1). Dibutyl phthalate was found in 28.7% of 429 river bed sites sampled from 19 major river basins in the US sampled from Aug 1992 to March 1995 with a maximum concentration of 310 ug/kg(2). Dibutyl phthalate was detected in sediment samples from Pensacola Bay, FL at 370 ug/kg in June 1983 and in stream drainage at 2000 ug/kg in Feb 1984(3). Dibutyl phthalate was found in 10% of sediment samples taken near 2 combined sewer overflows in the lower Passaic River in New Jersey, found in 80% at another site and not found at a 4th(4). Dibutyl phthalate was found in surface sediment samples at 4 sites in False Creek in Vancouver, Canada(5). Samples taken in the summer of 1997 in Hamilton Harbour, Ontario had concentrations of dibutyl phthalate below the reporting limit of 0.3 ng/g(6).",
+ "Markup": [
+ {
+ "Start": 10,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 188,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 375,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 528,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 719,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 913,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Tan GH; Bull Environ Contam Toxicol 54: 171-76 (1995) (2) Preston MR, Al-Omran LA; Marine Pollut Environ 17: 548-53 (1986) (3) Preston MR, Al-Omran LA; Environ Pollut 62: 183-93 (1989) (4) Giam CS et al; pp. 67-142 in Handbook of Environmental Chemistry: Anthropogenic Substances. Berlin, Germany: Springer-Verlag (1984) (5) Fromme H et al; Water Res 36: 1429-38 (2002) (6) Jeng WL; Acta Oceanoger Taiwan 17: 61-8 (1986) (7) Kawata K et al; Bull Environ Contam Toxicol 65: 660-7 (2000) (8) Ishizuka S; Aomori-Ken Kankyo Hoken Senta Kenkyu Hokoky 5: 26-35 (1995) (9) Parkman H, Remberger M; IVL Rep B1167, Stockhom, Swed, Inst Vatten-OCH Luftvaardsforskning (1995) (10) Schwarzbauer J et al; Org Geochem 31: 1713-31 (2000) (11) Vondracek J et al; Environ Toxicol Chem 20: 1499-506 (2001) (12) Wang H et al; Chemosphere 50: 557-62 (2003) (13) Yoon J et al; Organohalogen Compounds 66: 1436-40 (2004)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "SEDIMENT: Dibutyl phthalate was detected in the sediment of the Klang River in Malaysia at 67-637 ng/g(1). Dibutyl phthalate was detected at 20-698 ng/g(2) and 0.092-260 ng/g(3) in the sediment of the Mersey Estuary in the UK. Dibutyl phthalate was detected in the sediment of the Usk River, England (8,000 ng/g), Rhine River, Netherlands (2,100 ng/g), Meuse River, Netherlands (500 ng/g), Ijssel River, Netherlands (1,100 ug/g), Lake Superior, Canada (100 ng/g), Lake Constance, Switzerland (200 ug/g) and the Chesapeake Bay, US (42 ug/g)(4). Sediment samples from Germany had dibutyl phthalate concentrations of 0.06-2.08 mg/kg dry weight in 35 samples(5). Dibutyl phthalate was found at 6 of 50 locations in marine sediments at 3-10 ppb from samples taken April, Sept, and Oct 1983 in Taiwan(6). Dibutyl phthalate was identified in sediment samples taken Sept 1995 at the mouth of 3 rivers and in 1 port in Niigata, Japan(7). Dibutyl phthalate was detected in sediment from Lake Jusan and Mutsu Bay, in Japan(8). Dibutyl phthalate was found in sediment from remote lakes in Sweden at 0-0.09 ug/g dry weight(9). Dibutyl phthalate was detected in sediment in 7 of 7 sites in the German Bight area(10). Dibutyl phthalate was found in sediment at Doevnice and 3 other small tributaries of the Morava River, Czech Republic at 230-3,280 ng/g(11). Dibutyl phthalate was detected in 91.67% of samples taken from 12 sites from Taihu Lake, China in 2000 at concentrations of 1.08-21.52 mg/kg(12). Dibutyl phthalate was detected in 4 of 11 sediment samples collected through out Korea in 2002 at a maximum of 14 ug/g(13).",
+ "Markup": [
+ {
+ "Start": 10,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 107,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 227,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 578,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 659,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 799,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 929,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1016,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1114,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1203,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1344,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1490,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) ATSDR; Agency For Toxic substances and Disease Registry PB90-144106 (1990) (2) Webber MD et al; J Environ Qual 23: 1019-26 (1994) (3) Webber MD, Wang; Can J Soil Sci 75: 513-24 (1995) (4) Li XH et al; Bull Environ Contam Toxicol 77: 252-9 (2006) (5) Liu H et al; Chemosphere 78: 382-8 (2010)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "SOIL: Dibutyl phthalate was detected in the soil of an abandoned strip-mine in Pennsylvania at a concentration of 10,600 ppm(1). Dibutyl phthalate was detected in soil samples taken Sept to Nov 1987 from St. David Coal Refuse Pile Reclamation site in Illinois at <1-3 mg/kg dry weight(2). Dibutyl phthalate was detected at 0.09-0.40 mg/kg dry weight in 10 selected Canadian soils(3). Dibutyl phthalate was detected in 30 soil samples from Beijing, China at 0.279-3.817 mg/kg dry weight(4). Soil samples collected from 26 sites in the JiangHan plain, China contained dibutyl phthalate at not detected to 289.8 ng/g; samples were collected June 2007 and Jan 2008(5).",
+ "Markup": [
+ {
+ "Start": 6,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 129,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Atmospheric Concentrations",
+ "Description": "Concentrations of this compound in the atmosphere. ",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Giam CS et al; pp. 67-142 in Handbook of Environmental Chemistry; Anthropogenic Substances. Berling, Germany: Springer-Verlag (1984) (2) Kelly MJ et al; Ambient concentration summaries for clean air act. Title III. Hazardous air pollutants. USEPA Contract 68-D80082, USEPA/600/R-94/090 (1993) (3) Kelly MJ et al; Environ Sci Technol 28: 378-87 (1994) (4) Thuren A, Larsson P; Environ Sci Technol 24: 554-59 (1990) (5) Gao H et al; Bull Environ Contam Toxicol 72: 923-30 (2004) (6) Clark K et al; Handbook Environ Chem 3: 125-77 (2003) (7) Otson R et al; pp 667-85 in Polynucl Aromat Hydrocarbons: Meas, Means, Metab, Int Symp 11th 1987, Cooke M et al, eds, Columbus, OH: Battelle Press: (1991) (8) Salapasidou M et al; Atmos Environ 45: 3720-9 (2011) (9) Teil MJ et al; Sci Total Environ 354: 212-23 (2006) (10) Wang P et al; Chemosphere 72: 1567-72 (2008) (11) Yoon J et al; Organohalogen Compounds 66: 1436-40 (2004)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "URBAN/SUBURBAN: Dibutyl phthalate was detected in atmospheric samples from Antwerp, Belgium (55-79 ng/cu m), College Station, TX (3.8 ng/cu m), Houston, TX (6.2 ng/cu m), La Paz, Bolivia (19-36 ng/cu m), New York City, NY (4 ng/cu m) and Osaka, Japan (25-192 ng/cu m)(1). Dibutyl phthalate was detected in air samples from New York City, NY at 3.3-5.7 ng/cu m and College Station, TX at 0.48-3.60 ng/cu m(2). Dibutyl phthalate was detected in air samples from 3 locations in the US at 0.5-6 ng/cu m(3) and in Portland, OR at 0.37 ng/cu m(4). Dibutyl phthalate was detected in the city of Lanzhou, China in March of 2003 at 2.36 ng/cu m at the top of Lanyuan Hotel(5). Dibutyl phthalate was measured in 38 outdoor atmospheric samples at 0.08-92 ng/cu m taken in the US, at 0.1-700 ng/cu m in 40 samples collected in Canada, and at 0.2-380 ng/cu m in 83 samples collected in Europe(6). Dibutyl phthalate was found in urban atmosphere at 667 ppm and suburban atmosphere at 166 ppm in samples collected Dec 11-18, 1986 in Whitehorse, Yukon, Canada(7). Dibutyl phthalate was detected at 0.43-2.4 and 1.20-3.36 at 10 urban traffic and 10 urban industrial sites, respectively, from Thessaloniki, Greece; samples were collected Jan and Feb 2007(8). In samples taken May 2002 to Apr 2003 in Paris, France, dibutyl phthalate was detected at 2.9-59.3 ng/cu m in the vapor phase and 0.6-4.6 ng/cu m in the particulate form, respectively(9). Dibutyl phthalate was detected in urban and suburban air samples from Nanjing, China at 28.1-66.7 and 4.1-20.0 ug/cu m in the gas phase, and 4.1-17.9 and 0.7-7.8 ug/cu m in the particulate phase, respectively; samples were collected Apr, July, Oct 2005 and Jan 2006(10). Dibutyl phthalate was detected in all 33 air samples collected through out Korea in 2002 at 4-35 ug/cu m(11).",
+ "Markup": [
+ {
+ "Start": 16,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 272,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 409,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 542,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 668,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 884,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1048,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1297,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1429,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1700,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Weschler CJ, Shields HC; in Proc APCA Annu Meet 79: 12 (1986) (2) Weschler CJ et al; Am Ind Hyg Assoc J 51: 261-68 (1990) (3) Otake T et al; Environ Sci Technol 35: 3099-102 (2001) (4) Clark K et al; Handbook Environ Chem 3: 125-77 (2003) (5) Rudel RA et al; J Air Waste Manage Assoc 51: 499-513 (2001)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "INDOOR AIR: Dibutyl phthalate particulates were detected at office buildings in the US at an average concentration of 1 ng/cu m(1). Dibutyl phthalate was detected at 3 locations in a building in the US exhibiting sick building syndrome at concentrations of 1.2, 5.9 and 4 ug/cu m(2). Dibutyl phthalate was measured in 6 residential homes in Tokyo; concentrations ranging from 0.11 to 0.60 ug/cu m were found(3). Dibutyl phthalate was found at a range and mean of 0.2-420 and 0.2 ng/cu m, respectively, in 6 indoor air samples taken in the US; at a mean of 2.9 ng/cu m in 9 indoor air samples taken in Canada; at a range and mean of <3-9,445 and 1032 ng/cu m, respectively, in 26 indoor air samples taken in Europe(4). Dibutyl phthalate was found in 6 of 6 residential and office air samples with concentrations of 0.101-0.431 ug/cu m and also found in a plastic melting workplace at 2.81 ug/cu m(5).",
+ "Markup": [
+ {
+ "Start": 12,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 132,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 284,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 412,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Eisenreich SJ et al; Environ Sci Technol 15: 30-8 (1981) (2) Giam CS et al; pp. 67-142 in Handbook of Environmental Chemistry; Anthropogenic Substances. Berlin, Germany: Springer-Verlag (1984) (3) Thuren A, Larsson P; Environ Sci Technol 24: 554-59 (1990) (4) Atlas E, Giam CS; Water Air Soil Pollut 38: 19-36 (1988) (5) Duce RA et al; Rev Geophysics Space Physics 21: 921-52 (1983) (6) Rosenbaum AS et al; J Air Waste Manage Assoc 49: 1138-52 (1999) (7) Xie Z et al; Environ Sci Technol 41: 4555-60 (2007)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "RURAL/REMOTE: Dibutyl phthalate was detected in the atmosphere over the Great Lakes at 0.5-5.0 ng/cu m(1). Dibutyl phthalate was detected in the Sterling Forest, NY and Barrow, AK at 1 ng/cu m(2). Dibutyl phthalate was detected in the air over the Atlantic Ocean (1 ng/cu m)(2), the Gulf of Mexico (0.3-1.3 ng/cu m)(2) and the Pacific Ocean (0.87 ng/cu m)(3). Dibutyl phthalate was detected in rural locations in Texas at <0.2-2.1 ng/cu m(4). Dibutyl phthalate was measured at 28 ng/cu m at 5200 m above sea level in Chacaltaya, Bolivia(5) and at 1.0 ng/cu m over the north Atlantic ocean(6). Dibutyl phthalate was detected in the gas and particulate form at 158-432 and 75-189 pg/cu m, respectively, in samples from over the ocean from the Norwegian coast to the Arctic sea; samples were collected Jul 17 to Aug 28, 2004(7).",
+ "Markup": [
+ {
+ "Start": 14,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 107,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 197,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 360,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Lee S et al; Environ Sci Technol 39: 9049-56 (2005)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "SOURCE DOMINATED: Dibutyl phthalate was detected in the atmosphere at flaming and smoldering stages of prescribed burning of two pine-dominated forest areas of Georgia; fires were set in Apr 2004(1).",
+ "Markup": [
+ {
+ "Start": 18,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Food Survey Values",
+ "Description": "Information on the amount or concentration of this compound in food, reported from various data sources.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Williams DT; J Agric Food Chem 21: 1128-9 (1973) (2) Ishida M et al; J Agric Food Chem 29: 72 (1981) (3) Ishikawa K et al; Miyagi-ken Eisi Kenkyusho Nempo p.105-11 (1975) (4) Overcash MR et al; Behavior of organic priority pollutants in the terrestrial system: di-n-butyl phthalate ester, toluene and 2,4-dinitrophenol p.104 NTIS PB82-224-544 (1982) (5) McNeal TP et al; in ACS Symposium Searies 747, Amer Chem Soc, Washington, DC Ch 4, pp 33-52 (2000) (6) Ho CT et al; J Agric Food Chem 31: 336-42 (1983) (7) Leibowitz JN et al; J AOAC Inter 78: 730-35 (1995) (8) Paul TG, Woodson BL; Chem Contam Monit 78: 614-31 (1995) (9) Shahidi F et al; CRC Crit Rev Food Sci Nature 24: 141-243 (1986) (10) Rogers WM et al; J AOAC Intern 78: 614-31 (1995)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate was found in canned tuna at 0-78 ppb and canned salmon at <37 ppb in samples collected in Canada(1). Dibutyl phthalate was found in egg white from Japan-retail stores at <150 ppb(2). Dibutyl phthalate was found in fresh and processed food in Japan: the average concentration in meat, fish and eggs were 100, 180 and 80 ppb, respectively, with 70% of samples positive(3). Dibutyl phthalate is used as a plasticizer in food wrappings and food containers and it can migrate from the plastic packaging into foods(4). It has been estimated that 150 mg of dibutyl phthalate will migrate into 1 kg cheese with 15% fat content(4). United Kingdom Ministry of Agriculture, Fisheries and Food's surveillance of phthalates found dibutyl phthalate in infant formula at 0.08-0.40 ug/g in 12 powders tested(5). Dibutyl phthalate was not detected in 16 different cheese packages from 13 US cities, but was found in 3 cheese packaging containers with labels and color or printing at 5.8-9.5 ug/g(5). Dibutyl phthalate was found in 2 of 6 infant formulas in the US at 7-11 ng/g(5). Dibutyl phthalate was identified, not quantified, in bacon(6). Dibutyl phthalate was detected in 18 of 50 vodka samples at 22-204 ug/L and not detected in 7 grain neutral spirits stored in plastic containers(7). Dibutyl phthalate was found in 1 of 234 ready to eat food products at 2.5 ug/g(8). Dibutyl phthalate was identified, not quantified, in the volatiles of beef, mutton and chicken(9). Dibutyl phthalate was found at 42.5 ug/g in flour tortilla(10).",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Clark K et al; Handbook Environ Chem 3: 125-77 (2003)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate mean concentrations in various foods from the USA, Europe and Japan/Asia(1).[Table#2436]",
+ "Markup": [
+ {
+ "Start": 94,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2436]"
+ },
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2436]",
+ "Value": {
+ "Binary": [
+ "IkNvbmNuICh1Zy9nKSIsIkNvbW1vZGl0eSIKIjAuMSIsImJldmVyYWdlcyIKIjAuMyIsImNlcmVhbCIKIjAuMDQiLCJvdGhlciBkYWlyeSIKIjAuMDkiLCJlZ2dzIgoiMi41IiwiZmF0cyBhbmQgb2lscyIKIjAuMjMiLCJmaXNoIgoiMC4wMzMiLCJmcnVpdHMiCiIwLjI2IiwiZ3JhaW5zIgoiMC45MiIsIm1lYXQiCiIwLjE4IiwibnV0cyBhbmQgYmVhbnMiCiIwLjEzIiwicG91bHRyeSIKIjAuNTQiLCJwcm9jZXNzZWQgbWVhdCIKIjAuMTciLCJ2ZWdldGFibGVzIgoiMC4wMjgiLCJiYWJ5IGZvb2RzIgoiMC4xNiIsIm90aGVyIGZvb2RzIgo="
+ ],
+ "MimeType": "text/csv"
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Martine B et al; Bull Environ Contam Toxicol 90(1): 91-6 (2013)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate concentrations in various food samples collected over four days from University P&M restaurant, Paris, France. The compound was not detected (detection limit 4 ng/g wet weight) in mixed salad, mixed steak, fried potatoes, plain yogurt, Gruyere cheese and Camembert cheese(1).[Table#2437]",
+ "Markup": [
+ {
+ "Start": 297,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2437]"
+ },
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2437]",
+ "Value": {
+ "Binary": [
+ "IkNvbmNuIChuZy9nIHdldCB3dCkiLCJDb21tb2RpdHkiCiI0LjgiLCJmaXNoIHRlcnJpbmUiCiIzMS41IiwiY29ybiBzYWxhZCIKIjEzLjEiLCJyYWRpc2hlcyIKIjUxLjIiLCJsYXNhZ25lIgoiMjAuNiIsInJvYXN0IGJlZWYiCiIxMjciLCJjaGlja2VuIGxlZyIKIjkuMSIsIkJhc21hdGkgcmljZSIKIjUuMSIsImZyaWVkIHZlZ2V0YWJsZXMiCiIzNS4zIiwiZ3Jhbm55IGFwcGxlIgoiMzUuOCIsImJsYWNrIGdyYXBlcyIKIjQyLjIiLCJzdGV3ZWQgYXBwbGVzIgoiMzYuNyIsImZydWl0IHNhbGFkIgo="
+ ],
+ "MimeType": "text/csv"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Plant Concentrations",
+ "Description": "Concentrations of this compound in plants.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Carlberg GE et al; Chemosphere 12: 341-56 (1983) (2) MacKintosh CE et al; Environ Sci Technol 38: 2011-20 (2004) (3) Webber MD et al; J Environ Qual 23: 1019-26 (1994) (4) Tsuchiya Y, Matsumoto A; Wat Sci Tech 20: 149-55 (1988) (5) Cai QY et al; Bull Environ Contam Toxicol 77: 411-8 (2006) (6) Chi J; Chemosphere 77: 48-52 (2009)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate was identified, not quantified, in a sample of lichen (Hypogymnia physodes) and moss (Hylocomium splendens) collected from Minnesund, Norway the summer of 1979(1). Dibutyl phthalate was found in aquatic organisms June to Sept 1999 from False Harbor, Vancouver, British Columbia; green algae (Enteromorpha intestinalis) 2.82 ng/g lipid and brown algae (Nereocysitis luetkeana, Fucus gardneri) 2.94 ng/g lipid(2). Dibutyl phthalate was not detected in corn grain or cabbage samples taken Sept to Nov 1987 from St David Coal Refuse Pile Reclamation site in Illinois, but was found in carrots at >50 mg/kg dry weight(3). Dibutyl phthalate was identified as a metabolite of bluegreen algae from a variety of water sources in Japan. Algae species were (source): Oscillatoria geminata (water from the moat of the Imperial Palace), Phormidium tenue and O. splendida (reservoir water), O. limnetica and Aphanizomenon flos-aquae (pond waters), O. splendida and O. amoena (water of rivers in Tokyo metropolis), Anabaena macrospora (water of Lake Biwa, Osaka Prefecture), and Osillatoria sp. (water from a cooling tower)(4). Dibutyl phthalate was detected at 0.18-1.85 mg/kg dry weight in water spinach (Ipomoea aquatica) grown under different conditions on sludge from waste water treatment plants in China(5). Dibutyl phthalate was detected at 0.007-0.242 and 0.20-5.21 mg/kg wet weight in the above ground and root tissues, respectively, of the water plant Potamogeton crispus L.; plants were grown in the Haihe River, China from Mar to May 2008(6).",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 182,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 430,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 635,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 721,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 797,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 887,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 980,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1039,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1099,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1131,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1195,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1282,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 1318,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1454,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Mo CH et al; Arch Environ Contam Toxicol 56: 181-9 (2009)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Raw vegetables collected from 9 farms located in the Pearl River Delta area of Southern China contained dibutyl phthalate at the following concentrations(1):[Table#2443]",
+ "Markup": [
+ {
+ "Start": 157,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2443]"
+ },
+ {
+ "Start": 104,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2443]",
+ "Value": {
+ "Binary": [
+ "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"
+ ],
+ "MimeType": "text/csv"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Fish/Seafood Concentrations",
+ "Description": "Concentrations of this compound in fish or seafood.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Ray LE et al; Chemosphere 12: 1031-8 (1983) (2) Giam CS et al; Science 199: 419-21 (1978) (3) Kaiser KLE; J Fish Res Board Can 34: 850-5 (1977) (4) Konasewich D et al; Status report on organic and heavy metal contaminants in the Lake Erie, Michigan, Huron and Superior Basins. Great Lakes Qual Rev Board (1978) (5) Swain WR; J Great Lakes Res 4: 398-407 (1978) (6) Mayer FL et al; Nature 238: 411-3 (1972) (7) Chung HY; J Agric Food Chem 47: 2280-7 (1999) (8) Lin ZP et al; Envrion Sci Technol 37: 2100-8 (2003) (9) Stephanatos BN, Knorr DF; Hydrocarbon Contam Soils 2: 811-28 (1992) (10) Walsh K et al; Arch Environ Contam Toxicol 26: 367-73 (1994) (11) Devault DS; Arch Environ Contam Toxicol 14: 587-94 (1985) (12) Nicola RM et al; J Environ Health 49: 342-47 (1987)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate was found in clams and clam worms (Neanthes virens) at 2 sites in Portland, ME at 40 and 100 ppb and 70 and 180 ppb, respectively(1). Dibutyl phthalate was not detected (<0.1 ppb) in 18 species of marine organisms from 14 locations in Mississippi Delta and coastal areas in the northwest part of the Gulf of Mexico(2). Dibutyl phthalate was detected, not quantified, in White sucker, longnose sucker and yellow perch from Nepugin Bay, Lake Superior(3), and in burbot from 2 sites in Lake Huron(4). Dibutyl phthalate was found in fish from Lake Superior (adjacent to Isle Royale, MI):in fat siscowet trout at a trace, in lean lake trout at 200 ppb and in white fish at 70 ppb(5). Reported concentrations of dibutyl phthalate in aquatic species from selected areas of North America were 0-200 ppb in channel catfish, 200 ppb in dragonfly naiads and 500 ppb in tadpoles(6). Dibutyl phthalate was found in crabs (Charybdis feriatus) at 2.3 ug/kg, 1.9 ug/kg, and 2.8 ug/kg in the leg, body and carapace, respectively(7). Three seaperch (Embiotoea lateralis) taken from False Creek, Vancouver, Canada contained 0.1-1.0 ppb of dibutyl phthalate(8). Dibutyl phthalate was found in sea lamprey tissue at 170 and 290 ug/kg in Brodhead Creek, Stroudsburg, PA and in fish tissue (trout) at 1715 and 6767 ug/kg(9). Dibutyl phthalate was identified in the soft tissue of the marine gastropod, Austrocochlea constricta, in 2 of 4 locations in New South Wales, Australia(10). Dibutyl phthalate was detected in edible fish from Wisconsin lakes and rivers at <0.02-35.0 mg/kg(11). Dibutyl phthalate was detected in fish at 0.598 ppm(12).",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 152,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) MacKintosh CE et al; Environ Sci Technol 38: 2011-20 (2004)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Aquatic organisms collected June to Sept 1999 from False Harbor, Vancouver, British Columbia, Canada were analyzed for concentrations of dibutyl phthalate(1).[Table#2435]",
+ "Markup": [
+ {
+ "Start": 158,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2435]"
+ },
+ {
+ "Start": 137,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2435]",
+ "Value": {
+ "Binary": [
+ "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"
+ ],
+ "MimeType": "text/csv"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Animal Concentrations",
+ "Description": "Concentrations of this compound in animals.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Zitko V; Int J Environ Anal Chem 2: 241-52 (1973) (2) Asaoka K et al; Bull Environ Contam Toxicol 64: 679-85 (2000)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate was detected in double crested cormorants and herring gulls at 11-19 ug/g lipid(1). Dibutyl phthalate had an average concentration of 0.0821 ug/L in 13 male and 20 female monkeys fed an artificial diet at the Primate Research Institute at Kyoto University in Japan, and an average concentration of 0.0146 ug/L in 9 male and 1 female monkeys in the wild in Chiba, Japan(2).",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 102,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Milk Concentrations",
+ "Description": "Concentrations of this compound in milk.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Ishikawa K et al; Miyagi-ken Eisi Kenkyusho Nempo p.105-11 (1975) (2) Clark K et al; Handbook Environ Chem 3: 125-77 (2003)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ENVIRONMENTAL: Dibutyl phthalate was not detected in bovine milk in Japan(1). Dibutyl phthalate had a mean of 0.012 ug/g in bovine milk and 0.03 ug/g in human breast milk; samples not separated into geographical regions but reported as combined results from samples collected in Canada, the US, Europe and Japan/Asia(2).",
+ "Markup": [
+ {
+ "Start": 15,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 78,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Clark K et al; Handbook Environ Chem 3: 125-77 (2003)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ENVIRONMENTAL: Dibutyl phthalate mean concentrations in milk from the USA, Europe and Japan/Asia(1).[Table#2439]",
+ "Markup": [
+ {
+ "Start": 100,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2439]"
+ },
+ {
+ "Start": 15,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2439]",
+ "Value": {
+ "Binary": [
+ "IkNvbmNuICh1Zy9nKSIsIkNvbW1vZGl0eSIKIjAuMDciLCJpbmZhbnQgZm9ybXVsYSBwb3dkZXIiCiIwLjAwMjkiLCJpbmZhbnQgZm9ybXVsYSBsaXF1aWQiCiIwLjAzIiwiYnJlYXN0IG1pbGsiCiIwLjAxMiB1Zy9nIiwiYm92aW5lIG1pbGsiCg=="
+ ],
+ "MimeType": "text/csv"
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Zhu J et al; Environ Sci Technol 40: 5276-81 (2006)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ENVIRONMENTAL: Dibutyl phthalate was detected in human breast milk sampled five times in 21 women from Kingston, Ontario, Canada; samples were collected 2003 to 2004(1).[Table#2440]",
+ "Markup": [
+ {
+ "Start": 169,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2440]"
+ },
+ {
+ "Start": 15,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2440]",
+ "Value": {
+ "Binary": [
+ "IlNhbXBsaW5nIHRpbWUgUG9zdHBhcnR1bSIsIk5vLiBTYW1wbGVzIiwiQ29uY24gcmFuZ2UgKG5nL2cpIgoiMiB3ZWVrcyIsIjE4IiwiMC4xNy0zLjIxIgoiMSBtb250aCIsIjE5IiwiMC4wNi0wLjkxIgoiMiBtb250aHMiLCIyMCIsIjAuMDYtMi4zMCIKIjQgbW9udGhzIiwiMTUiLCIwLjI1LTIuMDAiCiI2IG1vbnRocyIsIjE0IiwiMC4zNC0xMS4zMiIK"
+ ],
+ "MimeType": "text/csv"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Other Environmental Concentrations",
+ "Description": "Other environmental concentrations reported for this chemical.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Guo Y, Kannan K; Environ Sci Technol; 47: 14442-9 (2013)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "In April 2012, 168 personal care products (41 rinse off, 109 leave-on, 18 baby) were purchased at several supermarkets in the greater Albany, NY area(1). Dibutyl phthalate was not detected in 5 shaving gel, 9 skin toner, 4 eye liner cream, 4 baby lotion/oil or 1 baby powder products. Concentrations of dibutyl phthalate in other products were(1):[Table#2441]",
+ "Markup": [
+ {
+ "Start": 347,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2441]"
+ },
+ {
+ "Start": 154,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 303,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2441]",
+ "Value": {
+ "Binary": [
+ "IlByb2R1Y3QiLCJOdW1iZXIiLCJNZWFuICh1Zy9nIHdldCB3ZWlnaHQpIiwiTWF4aW11bSAodWcvZyB3ZXQgd2VpZ2h0KSIKIldhc2gtb2ZmIHByb2R1Y3QiLCIiLCIiLCIiCiJCb2R5IHdhc2giLCIxMSIsIjAuMDciLCIwLjM2IgoiU2hhbXBvbyIsIjkiLCIwLjAyIiwiMC4xNCIKIkhhaXIgY29uZGl0aW9uZXIiLCI3IiwiMC4wNSIsIjAuMzQiCiJGYWNlIGNsZWFuZXIiLCI5IiwiMC4wMSIsIjAuNjkiCiJMZWF2ZS1vbiBwcm9kdWN0IiwiIiwiIiwiIgoiU2tpbiBsb3Rpb24iLCIyMyIsIjAuMjkiLCIyLjQwIgoiSGFpciBjYXJlIiwiNiIsIiIsIjAuMDEiCiJQZXJmdW1lIiwiMTIiLCIwLjIxIiwiMC45NyIKIkRlb2RvcmFudCIsIjE0IiwiMC4wMyIsIjAuMjYiCiJGYWNlIGNyZWFtIiwiMjEiLCIwLjAzIiwiMC4zMSIKIkhhbmQgY3JlYW0iLCIzIiwiMC4xMSIsIjAuMzQiCiJTdW5zY3JlZW4iLCI1IiwiMC4wMiIsIjAuOTgiCiJMaXBzdGljayIsIjQiLCIwLjU1IiwiMS4yMiIKIk5haWwgcG9saXNoIiwiOCIsIjUyODAiLCIyNyw0MDAiCiJCYWJ5IHByb2R1Y3RzIiwiIiwiIiwiIgoiU2hhbXBvbyIsIjQiLCIwLjAyIiwiMC4wNSIKIlN1bnNjcmVlbiIsIjYiLCIwLjAyIiwiMC4xMSIKIkRpYXBlciBjcmVhbSIsIjMiLCIwLjA3IiwiMC4yMiIK"
+ ],
+ "MimeType": "text/csv"
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Butte W, Heinzow B; Rev Environ Contam Toxicol 175: 1-46 (2002) (2) Clark K et al; Handbook Environ Chem 3: 125-77 (2003) (3) Rudel RA et al; J Air Waste Manage Assoc 51: 499-513 (2001) (4) Bornehag C-G et al; Environ Health Perspect 113: 1399-404 (2005) (5) Fobe BO et al; Environ Sci Technol 29: 1691-701 (1995) (6) Fricker C, Hardy JK; J Environ Sci Health, Part A 25: 927-36 (1990) (7) Garrigos MC et al; Bull Environ Contam Toxicol 66: 557-62 (2001) (78 Otson R et al; IN: Polynucl Aromat Hydrocarbons: Meas, Means, Metab, Int Symp 11th 1987, Cooke M et al, eds, Battelle Press: Columbus, OH PP667-85 (1991) (9) Simoneit BRT et al; Environ Sci Technol 39: 6961-70 (2005) (10) Dodson RE et al; Environ Health Perspec 120: 935-43 (2012) (11) Mathur SP; J Environ Qual 3: 189-97 (1974)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate was found in 286 vacuum cleaner dust samples at 49 mg/kg in dust <63 um(1). Dibutyl phthalate was found in 26 dust samples from European buildings at 5-678,000 ug/kg of dust(2). Dibutyl phthalate was detected in 6 of 6 residential and office dust samples at 11.1-59.4 ug/g dust(3). Dibutyl phthalate was detected in 308 of 346 settled dust samples collected in children's bedrooms at 0.000-5.446 mg/g dust; samples were taken Oct 2001 to Apr 2002 from homes in Sweden(4). Dibutyl phthalate was found in weathered, black crusted limestone from Sevilla Cathedral in Spain and Mechelen Cathedral in Belgium(5). Dibutyl phthalate was identified in 2 of 10 types of commercially available coffee filter papers at 8.2-15 ug/g(6). One of 5 commercially available finger paints purchased from toy shops contained dibutyl phthalate at approximately 1.25%(7). Dibutyl phthalate was found in cigarette smoke at 45 ppm in samples collected Dec 11-18, 1986 in Whitehorse, Yukon, Canada(8). The concentration of dibutyl phthalate in new plastic bags, road side litter and landfills in Chile was reported at not detected, not detected and 24.2 ug/g plastic, respectively(9). The particulate matter in smoke from open burning of these items contained dibutyl phthalate at 147.0, 158.9 and 39.0 ng/mg of particulates, respectively(9). Dibutyl phthalate was detected in pillow protector, dryer sheet, tub and tile cleaner, bar soap, shaving cream and lip stick samples at >1-100 ug/g; in polish/wax samples at >100-1000 ug/g; 213 commercial products representing 50 product types were analyzed(10). Dibutyl phthalate was found in the cereal, gelatin, corn starch and casein components of commercial fish food at 20-30 ppb(11).",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1599,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Guo Y, Kannan K; Environ Sci Technol 45(8): 3788-94 (2011)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate was analyzed in house dust samples from six cities in China and one city in the US; samples were collected May to July 2010 and Dec 2007 to Jan 2008, respectively(1).[Table#2442]",
+ "Markup": [
+ {
+ "Start": 184,
+ "Length": 12,
+ "Type": "Inline Table",
+ "Extra": "[Table#2442]"
+ },
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Name": "[Table#2442]",
+ "Value": {
+ "Binary": [
+ "IkNpdHkiLCJOby4gc2FtcGxlcyIsIk1lZGlhbiBjb25jbiAodWcvZyBkdykiLCJSYW5nZSAobmcvZyBkdykiCiJCZWlqaW5nIiwiMTEiLCIxOC45IiwiNy4wLTMxLjUiCiJHdWFuZ3pob3UiLCIxMSIsIjExLjYiLCI5LjItNTguNyIKIkppbmFuIiwiMTMiLCI5LjMiLCIyLjMtMTI4IgoiUWlxaWhhZXIiLCIxMiIsIjIxLjkiLCIxMC45LTE0NyIKIlNoYW5naGFpIiwiMjEiLCIyNi45IiwiMS41LTk2LjIiCiJVcnVtY2hpIiwiNyIsIjE3MCIsIjc3LjktMTE2MCIKIkFsYmFueSwgTlkiLCIzMyIsIjEzLjEiLCI0LjUtOTQuNSIK"
+ ],
+ "MimeType": "text/csv"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Probable Routes of Human Exposure",
+ "Description": "Potential way(s) in which people may come into contact with a hazardous chemical. Examples of common exposure routes are inhalation, ingestion, skin/eye contact.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) US EPA; Chemical Data Reporting (CDR). Non-confidential 2012 Chemical Data Reporting information on chemical production and use in the United States. Available from, as of Mar 9, 2015: https://www.epa.gov/cdr/pubs/guidance/cdr_factsheets.html"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "According to the 2012 TSCA Inventory Update Reporting data, 13 reporting facilities estimate the number of persons reasonably likely to be exposed in the manufacturing, processing, or use of dibutyl phthalate in the United States may be as low as <10 workers per plant; the data may be greatly underestimated due to confidential business information (CBI) or unknown values(1).",
+ "Markup": [
+ {
+ "Start": 22,
+ "Length": 4,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/TSCA",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-110408"
+ },
+ {
+ "Start": 191,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) NIOSH; NOES. National Occupational Exposure Survey conducted from 1981-1983. Estimated numbers of employees potentially exposed to specific agents by 2-digit standard industrial classification (SIC). Available from, as of March 9, 2015: https://www.cdc.gov/noes/ (2) Weschler CJ, Shields HC; in Proc APCA Annu Meet 79: 12 (1986) (3) Rudel RA et al; J Air Waste Manage Assoc 51: 499-513 (2001)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "NIOSH (NOES Survey 1981-1983) has statistically estimated that 512,631 workers (198,249 of these are female) were potentially exposed to dibutyl phthalate in the US(1). Occupational exposure to dibutyl phthalate may occur through inhalation of dust or vapors and dermal contact with this compound at workplaces where dibutyl phthalate is produced or used. Dibutyl phthalate particulates were detected at office buildings in the US at an average concentration of 1 ng/cu m(2). Dibutyl phthalate was found in 6 of 6 residential and office air samples with concentrations of 0.101-0.431 ug/cu m and also found in a plastic melting workplace at 2.81 ug/cu m(3). Monitoring data indicate that the general population may be exposed to dibutyl phthalate via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with consumer products containing dibutyl phthalate(SRC).",
+ "Markup": [
+ {
+ "Start": 137,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 194,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 317,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 356,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 476,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 729,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 809,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 869,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Average Daily Intake",
+ "Description": "The average amount of the compound taken into the body through eating, drinking, or breathing.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Schecter A et al; Environ Health Perspect 121: 473-9 (2013) (2) Sakhi AK et al; Environ Int 73: 259-69 (2014) (3) Franco A et al; Environ Int 33: 283-91 (2007) (4) Lin S et al; Chemosphere 82: 947-55 (2011) (5) Martine B et al; Bull Environ Contam Toxicol 90(1): 91-96 (2013) (6) Wormuth M et al; Risk Anal 26: 803-24 (2006) (7) Itoh H et al; Environ Sci Technol 41: 4542-7 (2007)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The average daily intake of dibutyl phthalate was estimated as 0.184 ug/kg/day based on a food survey conducted in Albany, NY in 2011(1). The average daily intake of dibutyl phthalate was estimated as 30-40 ng/kg body weight/day in studies of foods and beverages purchased from Norwegian grocery stores(2). The estimated average intake of dibutyl phthalate was reported as 2.7 ug/kg body weight/day(3). Based on studies of urine and breast milk, the average daily intake of dibutyl phthalate for pregnant women, 2-3 year olds and 5-6 year olds was 0.01-0.08, 4-7 and 3-5 ug/kg body weight/day(4). The total average daily intake of dibutyl phthalate was 191.8 ng/kg body weight/day based on food, water, and indoor and outdoor air concentrations reported for Paris, France; component daily intakes were 0.87, 182 and 8.95 ng/kg body weight/day for water, food and air respectively(5). Based on analysis of urine samples from the German population, the average daily intake of dibutyl phthalate was 2.9-23.7, 3-28 and 2.1-26.2 ug/kg body weight/day in children, females and males, respectively(6). The median concentration of monobutyl phthalate in urine samples from 36 Japanese people collected May to June 2004 was 36 ug/L; this translates to an exposure rate of 1.2-2.2 ug/kg/day of the parent compound dibutyl phthalate(7).",
+ "Markup": [
+ {
+ "Start": 28,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 166,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 339,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 474,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 631,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 696,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 847,
+ "Length": 5,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/water",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-962"
+ },
+ {
+ "Start": 975,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 1124,
+ "Length": 19,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/monobutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 1305,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Body Burden",
+ "Description": "Total amount of a chemical present in an organism at a given time.",
+ "Information": [
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Mes J et al; Bull Environ Contam Toxicol 12: 721-5 (1974) (2) Mes J, Campbell DS; Bull Environ Contam Toxicol 16: 53-60 (1976) (3) Overcash MR et al; Behavior of organic priority pollutants in the terrestrial system: di-n-butyl phthalate ester, toluene and 2,4-dintrophenol p.104 NTIS PB82-224-544 (1982) (4) Geyer H et al; Reful Toxicol Pharacol 6: 313-47 (1986) (5) Colon I et al; Environ Health Perspect 108: 895-900 (2000) (6) Clark K et al; Handbook Environ Chem 3: 125-77 (2003) (7) Olsen L et al; Ecotoxicol Environ Saf 75(1): 242-248 (2012) (8) Silva MJ et al; Environ Health Perspect 112: 331-8 (2004) (9) Saravanabhavan G et al; Int J Hyg Environ Health 216: 652-61 (2013) (10) Adibi JJ et al; Environ Health Perspect 11: 1719-22 (2003)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Dibutyl phthalate was found in human adipose tissue at 0.10-0.30 ppm(1) and 0.57-0.79 ppm(2). Dibutyl phthalate was detected in human tissue and blood(3). Dibutyl phthalate was identified in adipose tissue and/or milk in non occupationally exposed humans(4). Dibutyl phthalate was found in the serum of 13 of 41 young (17-47 months) Puerto Rican girls with premature breast development at 15-276 ug/L(5). Dibutyl phthalate had a mean concentration of 0.03 ug/g in breast milk(6). The degradation product of dibutyl phthalate, mono-isobutyl phthalate, was detected in the serum of all 501 female and 501 of 502 male seniors from Uppsala, Sweden at concentrations of 2.7-1820 and 3.22-1390 ng/mL, respectively(7). The degradation product of dibutyl phthalate, monobutyl phthalate (MBP), was detected (detection limit 0.6 ug/L) in 99% of 2540 urine samples collected in the United States National Health and Nutrition Examination Survey (1999-2000)(8). MBP was detected in >90% of the urine samples collected from 3236 people (ages 6-49 years old) during the Canadian Health Measures Survey 2007-2009(9). Dibutyl phthalate was measured in expired air samples of pregnant New York women at 0.11-4.1 ug/cu m in samples taken Mar to Sept 2000 and in pregnant Krakow, Poland women at 0.75-15 ug/cu m in samples taken Nov 2000 to Mar 2001(10).",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 94,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 155,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 259,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 405,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 507,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 739,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 758,
+ "Length": 19,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/monobutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 1102,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ }
+ ]
+ }
+ ]
+ }
+ },
+ {
+ "ReferenceNumber": 31,
+ "Description": "PEER REVIEWED",
+ "Reference": [
+ "(1) Lin S et al; Chemosphere 82: 947-55 (2011)"
+ ],
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "The dibutyl phthalate degradation product, monobutyl phthalate, was analyzed in urine, breast milk and cord blood to determine exposure(1). Urine samples from 100 pregnant women were collected in the third trimester (Dec 2001-Nov 2002) and monobutyl phthalate was detected in 99% of the samples at 26.8-569 ug/g. Urine samples from 30 two to three year olds (2003-2004) contained monobutyl phthalate in 59% of the samples at 129-1929 ug/g. Urine samples from 59 five to six year olds (2006-2007) contained monobutyl phthalate in 26% of the samples at 36.76-168.42 ug/g. Monobutyl phthalate was detected in all 30 cord blood samples that were collected upon delivery at 13.10-39.70 ug/L. Monobutyl phthalate was also detected in 70% of the 30 breast milk samples, from this same population, at <0.50-32.03 ug/L. All samples were collected from residents of central Taiwan(1).",
+ "Markup": [
+ {
+ "Start": 4,
+ "Length": 17,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/dibutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-3026"
+ },
+ {
+ "Start": 43,
+ "Length": 19,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/monobutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 240,
+ "Length": 19,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/monobutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 380,
+ "Length": 19,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/monobutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 506,
+ "Length": 19,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/monobutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 570,
+ "Length": 19,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Monobutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ },
+ {
+ "Start": 687,
+ "Length": 19,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/Monobutyl%20phthalate",
+ "Type": "PubChem Internal Link",
+ "Extra": "CID-8575"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Associated Disorders and Diseases",
+ "Description": "Disorders and diseases associated with the compound. The contexts of the associations listed in this section vary. For example, a compound may cause its associated diseases (e.g., carcinogens and cancers) or have a therapeutic effect in treatment of the diseases (e.g., antihistamines and allergies), or be used as a marker/indicator for the diseases (e.g., glucose and diabetes).",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "Subsections",
+ "NumberOfColumns": 2,
+ "ColumnHeadings": [
+ "Disease",
+ "References"
+ ],
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ }
+ },
+ "Information": [
+ {
+ "ReferenceNumber": 11,
+ "Value": {
+ "ExternalTableName": "consolidateddiseaseassociation"
+ }
+ },
+ {
+ "ReferenceNumber": 29,
+ "Name": "Associated Occupational Diseases with Exposure to the Compound",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Contact dermatitis, allergic [Category: Skin Disease]",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 28,
+ "URL": "https://haz-map.com/Diseases/18"
+ }
+ ]
+ },
+ {
+ "String": "Contact urticaria [Category: Skin Disease]",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 17,
+ "URL": "https://haz-map.com/Diseases/266"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Literature",
+ "Description": "Scientific articles associated with this compound. Some chemical-literature associations in this section are provided by data contributors or derived from MeSH annotations, as explained in Kim et al., J. Cheminform. 2016, 8, 32. This section also provides the lists of chemicals, genes/proteins, and diseases, that are co-mentioned in scientific articles, as described in Zaslavsky et al., Front. Res. Metr. Anal., 2021, 6, 689059.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/literature",
+ "Section": [
+ {
+ "TOCHeading": "Consolidated References",
+ "Description": "The consolidated references include literature data from all sources including Springer Nature, Thieme Chemistry, Wiley, Nature journals, depositor provided citations, and NLM curated PubMed citations.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/literature",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "ExternalTableName": "literature"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "NLM Curated PubMed Citations",
+ "Description": "The NLM Curated PubMed Citations section links to all PubMed records that are tagged with the same MeSH term that has been associated with a particular compound.",
+ "URL": "https://jcheminf.biomedcentral.com/articles/10.1186/s13321-016-0142-6",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_pubmed_mesh&db=pccompound&cmd=Link&from_uid=3026",
+ "Value": {
+ "Boolean": [
+ true
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Springer Nature References",
+ "Description": "Literature references related to scientific contents from Springer Nature journals and books. These references have been ranked automatically by an algorithm which calculates the relevance for each substance in a Springer Nature document. It is based on: (1) the TF-IDF, adapted to chemical structures, (2) location information in the text (e.g. title, abstract, keywords), and (3) the document size. Springer Nature aims to provide only highly qualitative and relevant content but references of lower relevance aren't withheld as they might contain also very useful information.",
+ "Information": [
+ {
+ "ReferenceNumber": 142,
+ "Name": "Springer Nature References",
+ "Value": {
+ "ExternalTableName": "springernature"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Thieme References",
+ "Description": "Literature references related to scientific contents from Thieme Chemistry journals and books. The Thieme Chemistry content within this section is provided under a CC-BY-NC-ND 4.0 license (https://creativecommons.org/licenses/by-nc-nd/4.0/), unless otherwise stated.",
+ "Information": [
+ {
+ "ReferenceNumber": 148,
+ "Name": "Thieme References",
+ "Value": {
+ "ExternalTableName": "ThiemeChemistry"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Wiley References",
+ "Description": "Literature references related to scientific contents from Wiley journals and books.",
+ "Information": [
+ {
+ "ReferenceNumber": 156,
+ "Value": {
+ "ExternalTableName": "wiley"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical Co-Occurrences in Literature",
+ "Description": "Chemical co-occurrences in literature highlight chemicals mentioned together in scientific articles. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.",
+ "URL": "https://doi.org/10.3389/frma.2021.689059",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Name": "Co-Occurrence Panel",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ChemicalNeighbor"
+ },
+ {
+ "String": "Chemical"
+ },
+ {
+ "String": "ChemicalName_1"
+ },
+ {
+ "String": "ChemicalName_2"
+ },
+ {
+ "String": "SUMMARY_URL.cid"
+ },
+ {
+ "String": "CID"
+ },
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical-Gene Co-Occurrences in Literature",
+ "Description": "Chemical-gene co-occurrences in the literature highlight chemical-gene pairs mentioned together in scientific articles. This may suggest that an important relationship exists between the two. Note that a co-occurring gene entity is organism non-specific and could refer to a gene, protein, or enzyme. Also note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.",
+ "URL": "https://doi.org/10.3389/frma.2021.689059",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Name": "Co-Occurrence Panel",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ChemicalGeneSymbolNeighbor"
+ },
+ {
+ "String": "Gene/Protein/Enzyme"
+ },
+ {
+ "String": "ChemicalName"
+ },
+ {
+ "String": "GeneSymbolName"
+ },
+ {
+ "String": "https://pubchem.ncbi.nlm.nih.gov/gene/SYMBOL:"
+ },
+ {
+ "String": "CID"
+ },
+ {
+ "String": "GeneSymbol"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical-Disease Co-Occurrences in Literature",
+ "Description": "Chemical-disease co-occurrences in literature highlight chemical-disease pairs mentioned together in scientific articles. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.",
+ "URL": "https://doi.org/10.3389/frma.2021.689059",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Name": "Co-Occurrence Panel",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "ChemicalDiseaseNeighbor"
+ },
+ {
+ "String": "Disease"
+ },
+ {
+ "String": "ChemicalName"
+ },
+ {
+ "String": "DiseaseName"
+ },
+ {
+ "String": "https://meshb.nlm.nih.gov/record/ui?ui="
+ },
+ {
+ "String": "CID"
+ },
+ {
+ "String": "MeSH"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Patents",
+ "Description": "Patent applications/documents that mention this compound.",
+ "DisplayControls": {
+ "ListType": "Columns"
+ },
+ "Section": [
+ {
+ "TOCHeading": "Depositor-Supplied Patent Identifiers",
+ "Description": "Patent identifiers provided by data depositors, along with information on those patents.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "ExternalTableName": "patent"
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Link to all deposited patent identifiers",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 40,
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/3026/xrefs/PatentID/TXT"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "WIPO PATENTSCOPE",
+ "Description": "Use the provided link to show patents associated with this chemical structure in WIPO's PATENTSCOPE system.",
+ "URL": "https://www.wipo.int/patentscope/en/",
+ "Information": [
+ {
+ "ReferenceNumber": 184,
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "Patents are available for this chemical structure:"
+ },
+ {
+ "String": "https://patentscope.wipo.int/search/en/result.jsf?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "Markup": [
+ {
+ "Start": 0,
+ "Length": 86,
+ "URL": "https://patentscope.wipo.int/search/en/result.jsf?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N"
+ }
+ ]
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical Co-Occurrences in Patents",
+ "Description": "Chemical co-occurrences in patents highlight chemicals mentioned together in patent documents. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of patents and other statistics, with the most relevant mentions appearing at the top.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Name": "Co-Occurrence Panel",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "PatentChemicalChemical"
+ },
+ {
+ "String": "Chemical"
+ },
+ {
+ "String": "ChemicalName"
+ },
+ {
+ "String": "NeighborName"
+ },
+ {
+ "String": "SUMMARY_URL.cid"
+ },
+ {
+ "String": "CID"
+ },
+ {
+ "String": "CID"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical-Disease Co-Occurrences in Patents",
+ "Description": "Disease co-occurrences in patents highlight chemicals and diseases mentioned together in patent documents. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of patents and other statistics, with the most relevant mentions appearing at the top.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Name": "Co-Occurrence Panel",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "PatentChemicalDisease"
+ },
+ {
+ "String": "Disease"
+ },
+ {
+ "String": "ChemicalName"
+ },
+ {
+ "String": "NeighborName"
+ },
+ {
+ "String": "https://meshb.nlm.nih.gov/record/ui?ui="
+ },
+ {
+ "String": "CID"
+ },
+ {
+ "String": "MeSH"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical-Gene Co-Occurrences in Patents",
+ "Description": "Gene co-occurrences in patents highlight chemicals and genes mentioned together in patent documents. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of patents and other statistics, with the most relevant mentions appearing at the top.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Name": "Co-Occurrence Panel",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "PatentChemicalGene"
+ },
+ {
+ "String": "Gene"
+ },
+ {
+ "String": "ChemicalName"
+ },
+ {
+ "String": "NeighborName"
+ },
+ {
+ "String": "https://pubchem.ncbi.nlm.nih.gov/gene/SYMBOL:"
+ },
+ {
+ "String": "CID"
+ },
+ {
+ "String": "GeneSymbol"
+ }
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Interactions and Pathways",
+ "Description": "This section provides information on the biomolecular interactions of this compound with drugs, genes, proteins, etc., as well as the pathways in which this compound is involved.",
+ "Section": [
+ {
+ "TOCHeading": "Protein Bound 3D Structures",
+ "Description": "Experimentally determined 3D structures of the macromolecules (e.g., proteins) that this compounds bind to. The 3D structures in this section are from multiple sources including the RCSB Protein Data Bank (PDB), PDB in Europe (PDBe), and NCBI Structure database.",
+ "Information": [
+ {
+ "ReferenceNumber": 124,
+ "Value": {
+ "ExternalTableName": "pdb"
+ }
+ },
+ {
+ "ReferenceNumber": 158,
+ "URL": "https://www.ncbi.nlm.nih.gov/structure?cmd=Link&LinkName=pccompound_structure&from_uid=3026",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "View 1 protein in NCBI Structure"
+ }
+ ]
+ }
+ }
+ ],
+ "Section": [
+ {
+ "TOCHeading": "Ligands from Protein Bound 3D Structures",
+ "Description": "Ligands found in experimental protein-ligand co-complexes (e.g., those archived in the Protein Data Bank in Europe (PDBe)).",
+ "URL": "https://www.ebi.ac.uk/pdbe/",
+ "DisplayControls": {
+ "CreateTable": {
+ "FromInformationIn": "Subsections",
+ "NumberOfColumns": 2,
+ "ColumnContents": [
+ "Name",
+ "Value"
+ ]
+ },
+ "MoveToTop": true,
+ "ShowAtMost": 1
+ },
+ "Section": [
+ {
+ "TOCHeading": "PDBe Ligand Code",
+ "Description": "The ligand code for this compound used in the Protein Data Bank in Europe (PDBe).",
+ "Information": [
+ {
+ "ReferenceNumber": 122,
+ "URL": "http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/DB7",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "DB7"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "PDBe Structure Code",
+ "Description": "The structure code for the Protein Data Bank in Europe (PDBe) protein-ligand co-complex from which the ligand's 3-D coordinates were taken.",
+ "Information": [
+ {
+ "ReferenceNumber": 122,
+ "URL": "http://www.ebi.ac.uk/pdbe/entry/pdb/4G5I",
+ "Value": {
+ "StringWithMarkup": [
+ {
+ "String": "4G5I"
+ }
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "PDBe Conformer",
+ "Description": "The experimental protein-bound 3D structure of this compound in a protein-ligand co-complex archived in the Protein Data Bank in Europe (PDBe).",
+ "Information": [
+ {
+ "ReferenceNumber": 122,
+ "URL": "http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/DB7",
+ "Value": {
+ "ExternalDataURL": [
+ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/key/8209943_1"
+ ],
+ "MimeType": "pubchem/compound-gzip-asnb"
+ }
+ }
+ ]
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Chemical-Target Interactions",
+ "Description": "Interactions between targets and this compound",
+ "Information": [
+ {
+ "ReferenceNumber": 11,
+ "Value": {
+ "ExternalTableName": "consolidatedcompoundtarget"
+ }
+ },
+ {
+ "ReferenceNumber": 48,
+ "Value": {
+ "ExternalTableName": "consolidatedcompoundtarget"
+ }
+ },
+ {
+ "ReferenceNumber": 147,
+ "Value": {
+ "ExternalTableName": "consolidatedcompoundtarget"
+ }
+ },
+ {
+ "ReferenceNumber": 149,
+ "Value": {
+ "ExternalTableName": "consolidatedcompoundtarget"
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Biological Test Results",
+ "Description": "A PubChem substance or compound summary page displays biological test results from the PubChem BioAssay database, if/as available, for the chemical structure currently displayed. You can embed biological test results displays within your own web pages, for a PubChem Compound or Substance of interest, by using the BioActivity Widget.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/widgets",
+ "Section": [
+ {
+ "TOCHeading": "BioAssay Results",
+ "Description": "Bioactivity data for this compound, reported in PubChem BioAssay records.",
+ "Information": [
+ {
+ "ReferenceNumber": 158,
+ "Value": {
+ "ExternalTableName": "bioactivity"
+ }
+ }
+ ]
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Taxonomy",
+ "Description": "Organism-specific information about where this compound originated or is associated",
+ "Information": [
+ {
+ "ReferenceNumber": 51,
+ "Value": {
+ "ExternalTableName": "consolidatedcompoundtaxonomy"
+ }
+ },
+ {
+ "ReferenceNumber": 52,
+ "Reference": [
+ "The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106"
+ ],
+ "Value": {
+ "ExternalTableName": "consolidatedcompoundtaxonomy"
+ }
+ },
+ {
+ "ReferenceNumber": 102,
+ "Value": {
+ "ExternalTableName": "consolidatedcompoundtaxonomy"
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Classification",
+ "Description": "A set of concepts and categories in a subject area or domain that shows their properties and the relations between them.",
+ "Section": [
+ {
+ "TOCHeading": "MeSH Tree",
+ "Description": "The Medical Subject Headings (MeSH) tree for this entity. MeSH is a controlled and hierarchically-organized vocabulary produced by the National Library of Medicine.",
+ "URL": "https://www.nlm.nih.gov/mesh",
+ "Information": [
+ {
+ "ReferenceNumber": 159,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=1",
+ "Value": {
+ "Number": [
+ 1
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "NCI Thesaurus Tree",
+ "Description": "NCI Thesaurus (NCIt) hierarchy",
+ "URL": "https://ncithesaurus.nci.nih.gov",
+ "Information": [
+ {
+ "ReferenceNumber": 178,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=112",
+ "Value": {
+ "Number": [
+ 112
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "ChEBI Ontology",
+ "Description": "ChEBI Ontology tree. ChEBI is an acronym for Chemical Entities of Biological Interest, which is a freely available dictionary of molecular entities focused on 'small' chemical compounds. ChEBI incorporates an ontological classification, whereby the relationships between molecular entities or classes of entities and their parents and/or children are specified.",
+ "URL": "https://www.ebi.ac.uk/chebi/",
+ "Information": [
+ {
+ "ReferenceNumber": 160,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=2",
+ "Value": {
+ "Number": [
+ 2
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "KEGG: EDC",
+ "Description": "Classification/ontology tree for endocrine disrupting compounds (EDC), from the Kyoto Encyclopedia of Genes and Genomes (KEGG).",
+ "URL": "https://www.genome.jp/kegg-bin/get_htext?htext=br08006",
+ "Information": [
+ {
+ "ReferenceNumber": 161,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=7",
+ "Value": {
+ "Number": [
+ 7
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "KEGG: Pesticides",
+ "Description": "Pesticides classification/ontology tree from the Kyoto Encyclopedia of Genes and Genomes (KEGG).",
+ "URL": "https://www.genome.jp/kegg-bin/get_htext?htext=br08007",
+ "Information": [
+ {
+ "ReferenceNumber": 162,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=8",
+ "Value": {
+ "Number": [
+ 8
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "KEGG: ATC",
+ "Description": "Anatomical Therapeutic Chemical (ATC) classification tree from the Kyoto Encyclopedia of Genes and Genomes (KEGG).",
+ "URL": "https://www.genome.jp/kegg-bin/get_htext?htext=br08303",
+ "Information": [
+ {
+ "ReferenceNumber": 163,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=16",
+ "Value": {
+ "Number": [
+ 16
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "WHO ATC Classification System",
+ "Description": "The Anatomical Therapeutic Chemical (ATC) Classification System is used for the classification of drugs. This pharmaceutical coding system divides drugs into different groups according to the organ or system on which they act and/or their therapeutic and chemical characteristics. Each bottom-level ATC code stands for a pharmaceutically used substance, or a combination of substances, in a single indication (or use). This means that one drug can have more than one code: acetylsalicylic acid (aspirin), for example, has A01AD05 as a drug for local oral treatment, B01AC06 as a platelet inhibitor, and N02BA01 as an analgesic and antipyretic. On the other hand, several different brands share the same code if they have the same active substance and indications.",
+ "URL": "https://www.who.int/tools/atc-ddd-toolkit/atc-classification",
+ "Information": [
+ {
+ "ReferenceNumber": 165,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=79",
+ "Value": {
+ "Number": [
+ 79
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "ChemIDplus",
+ "Description": "Classification of this compound, provided by ChemIDplus, which is a free web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases. ChemIDplus groups chemicals based on the source locators (i.e., what information resources have data for a given chemical).",
+ "URL": "https://chem.nlm.nih.gov/chemidplus/",
+ "Information": [
+ {
+ "ReferenceNumber": 167,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=84",
+ "Value": {
+ "Number": [
+ 84
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "CAMEO Chemicals",
+ "Description": "CAMEO chemical reactivity classification from CAMEO Chemicals, which is a database of hazardous chemical datasheets that emergency responders and planners can use to get response recommendations and predict hazards (e.g., explosions or toxic fumes).",
+ "URL": "https://cameochemicals.noaa.gov/",
+ "Information": [
+ {
+ "ReferenceNumber": 168,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=86",
+ "Value": {
+ "Number": [
+ 86
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "IUPHAR/BPS Guide to PHARMACOLOGY Target Classification",
+ "Description": "Classification of this entity in the context of targets, provided by the IUPHAR/BPS Guide to PHARMACOLOGY.",
+ "URL": "https://www.guidetopharmacology.org/",
+ "Information": [
+ {
+ "ReferenceNumber": 170,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=92",
+ "Value": {
+ "Number": [
+ 92
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "ChEMBL Target Tree",
+ "Description": "Classification of this entity in the context of targets, provided by ChEMBL.",
+ "URL": "https://www.ebi.ac.uk/chembl/",
+ "Information": [
+ {
+ "ReferenceNumber": 169,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=87",
+ "Value": {
+ "Number": [
+ 87
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "UN GHS Classification",
+ "Description": "The United Nations' Globally Harmonized System of Classification and Labelling of Chemicals (GHS) provides a harmonized basis for globally uniform physical, environmental, and health and safety information on hazardous chemical substances and mixtures.",
+ "URL": "https://unece.org/about-ghs",
+ "Information": [
+ {
+ "ReferenceNumber": 166,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=83",
+ "Value": {
+ "Number": [
+ 83
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "EPA CPDat Classification",
+ "Description": "Classification from the U.S. Environmental Protection Agency's CPDat (Chemical and Products Database). This database contains information mapping more than 49,000 chemicals to a set of terms categorizing their usage or function in 16,000 consumer products (e.g. shampoo, soap) types based on what chemicals they contain.",
+ "URL": "https://www.epa.gov/chemical-research/chemical-and-products-database-cpdat",
+ "Information": [
+ {
+ "ReferenceNumber": 171,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=99",
+ "Value": {
+ "Number": [
+ 99
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "NORMAN Suspect List Exchange Classification",
+ "Description": "A classification from the NORMAN Suspect List Exchange, which serve as a central access point to find lists of chemicals with environmental concerns.",
+ "URL": "https://www.norman-network.com/nds/SLE/",
+ "Information": [
+ {
+ "ReferenceNumber": 172,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101",
+ "Value": {
+ "Number": [
+ 101
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "CCSBase Classification",
+ "Description": "CCSbase is an integrated platform that contains collision cross section data for the compound. The CCSbase classification groups the compounds by the type of adduct ions that can be formed from them (e.g., [M-H]-, [M+H]+, [M+Na]+, [M+K]+).",
+ "URL": "https://ccsbase.net/",
+ "Information": [
+ {
+ "ReferenceNumber": 173,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=104",
+ "Value": {
+ "Number": [
+ 104
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "EPA DSSTox Classification",
+ "Description": "Classification from the U.S. Environmental Protection Agency's Distributed Structure-Searchable Toxicity (DSSTox) database. DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology. A distinguishing feature of this effort is the accurate mapping of bioassay and physicochemical property data associated with chemical substances to their corresponding chemical structures. ",
+ "URL": "https://www.epa.gov/chemical-research/distributed-structure-searchable-toxicity-dsstox-database",
+ "Information": [
+ {
+ "ReferenceNumber": 174,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=105",
+ "Value": {
+ "Number": [
+ 105
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "Consumer Product Information Database Classification",
+ "Description": "Classification of the consumer products containing this compound, from the Consumer Product Information Database.",
+ "URL": "https://www.whatsinproducts.com/",
+ "Information": [
+ {
+ "ReferenceNumber": 176,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=110",
+ "Value": {
+ "Number": [
+ 110
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "EPA TSCA and CDR Classification",
+ "Description": "EPA Chemicals under the Toxic Substances Control Act (TSCA) collection contains information on chemicals and their regulation under TSCA. The chemical classification tree is created based on the TSCA substance regulatory flag, UVCB, and commercial activity status.",
+ "URL": "https://www.epa.gov/tsca-inventory",
+ "Information": [
+ {
+ "ReferenceNumber": 182,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=132",
+ "Value": {
+ "Number": [
+ 132
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "LOTUS Tree",
+ "Description": "Biological and chemical tree provided by the naturaL prOducTs occUrrence databaSe (LOTUS)",
+ "URL": "https://lotus.naturalproducts.net/",
+ "Information": [
+ {
+ "ReferenceNumber": 179,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=115",
+ "Value": {
+ "Number": [
+ 115
+ ]
+ }
+ }
+ ]
+ },
+ {
+ "TOCHeading": "EPA Substance Registry Services Tree",
+ "Description": "Substance Registry Services (SRS) is the Environmental Protection Agency's (EPA) central system for information about substances that are tracked or regulated by EPA or other sources. It is a resource for basic information about chemicals, biological organisms, and other substances of interest to EPA and its state and tribal partners. SRS makes it possible to identify which EPA data systems, environmental statutes, or other sources have information about a substance and which synonym is used by that system or statute.",
+ "Information": [
+ {
+ "ReferenceNumber": 181,
+ "Name": "HID",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/classification/#hid=123",
+ "Value": {
+ "Number": [
+ 123
+ ]
+ }
+ }
+ ]
+ }
+ ]
+ }
+ ],
+ "Reference": [
+ {
+ "ReferenceNumber": 1,
+ "SourceName": "Agency for Toxic Substances and Disease Registry (ATSDR)",
+ "SourceID": "tsp-142",
+ "Name": "Di-n-butyl Phthalate",
+ "Description": "ATSDR, the Agency for Toxic Substances and Disease Registry under CDC,is a federal public health agency of the U.S. Department of Health and Human Services. The Toxic Substances Portal at ATSDR provides toxicological information for hazardous chemical substances in the National Priorities List (NPL). Toxicological Profiles (Tox Profiles) are a unique compilation of toxicological information on a given hazardous substance. Each peer-reviewed Tox Profile reflects a comprehensive and extensive evaluation, summary, and interpretation of available toxicological and epidemiological information on a substance.",
+ "URL": "https://wwwn.cdc.gov/TSP/substances/ToxSubstance.aspx?toxid=167",
+ "LicenseNote": "The information provided using CDC Web site is only intended to be general summary information to the public. It is not intended to take the place of either the written law or regulations.",
+ "LicenseURL": "https://www.cdc.gov/Other/disclaimer.html",
+ "ANID": 756325
+ },
+ {
+ "ReferenceNumber": 145,
+ "SourceName": "The National Institute for Occupational Safety and Health (NIOSH)",
+ "SourceID": "npgd0187",
+ "Name": "Dibutyl phthalate",
+ "Description": "The NIOSH Pocket Guide to Chemical Hazards is intended as a source of general industrial hygiene information on several hundred chemicals/classes for workers, employers, and occupational health professionals. Read more: https://www.cdc.gov/niosh/npg/",
+ "URL": "https://www.cdc.gov/niosh/npg/npgd0187.html",
+ "LicenseNote": "The information provided using CDC Web site is only intended to be general summary information to the public. It is not intended to take the place of either the written law or regulations.",
+ "LicenseURL": "https://www.cdc.gov/Other/disclaimer.html",
+ "ANID": 2266485
+ },
+ {
+ "ReferenceNumber": 17,
+ "SourceName": "EPA Air Toxics",
+ "SourceID": "epaair_55",
+ "Name": "Dibutyl Phthalate",
+ "Description": "EPA Health Effects Notebook for Hazardous Air Pollutants",
+ "URL": "https://www.epa.gov/sites/default/files/2016-09/documents/dibutyl-phthalate.pdf",
+ "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources",
+ "ANID": 8862844
+ },
+ {
+ "ReferenceNumber": 118,
+ "SourceName": "NJDOH RTK Hazardous Substance List",
+ "SourceID": "0773",
+ "Name": "di-n-butyl phthalate",
+ "Description": "New Jersey Department of Health, Right to Know Hazardous Substance List, read more: https://www.nj.gov/health/workplacehealthandsafety/right-to-know/hazardous-substances/",
+ "URL": "http://nj.gov/health/eoh/rtkweb/documents/fs/0773.pdf",
+ "ANID": 2269583
+ },
+ {
+ "ReferenceNumber": 119,
+ "SourceName": "NORMAN Suspect List Exchange",
+ "SourceID": "nrm_3026",
+ "Name": "Dibutyl Phthalate",
+ "Description": "The NORMAN network enhances the exchange of information on emerging environmental substances, and encourages the validation and harmonisation of common measurement methods and monitoring tools so that the requirements of risk assessors and risk managers can be better met. The NORMAN Suspect List Exchange (NORMAN-SLE) is a central access point to find suspect lists relevant for various environmental monitoring questions, described in DOI:10.1186/s12302-022-00680-6",
+ "LicenseNote": "Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0",
+ "LicenseURL": "https://creativecommons.org/licenses/by/4.0/",
+ "ANID": 14717495
+ },
+ {
+ "ReferenceNumber": 150,
+ "SourceName": "USGS Columbia Environmental Research Center",
+ "SourceID": "P0340",
+ "Name": "PHTHALATE DIBUTYL",
+ "Description": "The Acute Toxicity Database at the USGS Columbia Environmental Research Center (CERC) provides the results from aquatic acute toxicity tests.",
+ "URL": "https://www.cerc.usgs.gov/data/acute/qrychemdesc.asp?Chemical=P0340",
+ "LicenseURL": "https://www.usgs.gov/foia",
+ "ANID": 2284515
+ },
+ {
+ "ReferenceNumber": 29,
+ "SourceName": "Haz-Map, Information on Hazardous Chemicals and Occupational Diseases",
+ "SourceID": "hz399",
+ "Name": "Dibutyl phthalate",
+ "Description": "Haz-Map® is an occupational health database designed for health and safety professionals and for consumers seeking information about the adverse effects of workplace exposures to chemical and biological agents.",
+ "URL": "https://haz-map.com/Agents/399",
+ "LicenseNote": "Copyright (c) 2022 Haz-Map(R). All rights reserved.\u000AUnless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.",
+ "LicenseURL": "https://haz-map.com/About",
+ "ANID": 17276211
+ },
+ {
+ "ReferenceNumber": 31,
+ "SourceName": "Hazardous Substances Data Bank (HSDB)",
+ "SourceID": "922",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "The Hazardous Substances Data Bank (HSDB) is a toxicology database that focuses on the toxicology of potentially hazardous chemicals. It provides information on human exposure, industrial hygiene, emergency handling procedures, environmental fate, regulatory requirements, nanomaterials, and related areas. The information in HSDB has been assessed by a Scientific Review Panel.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/922",
+ "LicenseURL": "https://www.nlm.nih.gov/web_policies.html",
+ "IsToxnet": true,
+ "ANID": 835
+ },
+ {
+ "ReferenceNumber": 4,
+ "SourceName": "CAMEO Chemicals",
+ "SourceID": "5717",
+ "Name": "N-BUTYL PHTHALATE",
+ "Description": "CAMEO Chemicals is a chemical database designed for people who are involved in hazardous material incident response and planning. CAMEO Chemicals contains a library with thousands of datasheets containing response-related information and recommendations for hazardous materials that are commonly transported, used, or stored in the United States. CAMEO Chemicals was developed by the National Oceanic and Atmospheric Administration's Office of Response and Restoration in partnership with the Environmental Protection Agency's Office of Emergency Management.",
+ "URL": "https://cameochemicals.noaa.gov/chemical/5717",
+ "LicenseNote": "CAMEO Chemicals and all other CAMEO products are available at no charge to those organizations and individuals (recipients) responsible for the safe handling of chemicals. However, some of the chemical data itself is subject to the copyright restrictions of the companies or organizations that provided the data.",
+ "LicenseURL": "https://cameochemicals.noaa.gov/help/reference/terms_and_conditions.htm?d_f=false",
+ "ANID": 759647
+ },
+ {
+ "ReferenceNumber": 7,
+ "SourceName": "ChEBI",
+ "SourceID": "CHEBI:OBO:3026",
+ "Name": "Dibutyl phthalate",
+ "Description": "Chemical Entities of Biological Interest (ChEBI) is a database and ontology of molecular entities focused on 'small' chemical compounds, that is part of the Open Biomedical Ontologies effort. The term \"molecular entity\" refers to any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable entity.",
+ "URL": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34687",
+ "ANID": 2478418
+ },
+ {
+ "ReferenceNumber": 52,
+ "SourceName": "LOTUS - the natural products occurrence database",
+ "SourceID": "Q415612",
+ "Name": "Dibutyl phthalate",
+ "Description": "LOTUS is one of the biggest and best annotated resources for natural products occurrences available free of charge and without any restriction.",
+ "URL": "https://www.wikidata.org/wiki/Q415612",
+ "LicenseNote": "The code for LOTUS is released under the GNU General Public License v3.0.",
+ "LicenseURL": "https://lotus.nprod.net/",
+ "ANID": 19826837
+ },
+ {
+ "ReferenceNumber": 144,
+ "SourceName": "The CA Office of Environmental Health Hazard Assessment (OEHHA)",
+ "SourceID": "25624:3026",
+ "Name": "Di-n-butyl Phthalate (DBP)",
+ "Description": "The CA Office of Environmental Health Hazard Assessment (OEHHA) is the lead state agency for the assessment of health risks posed by environmental contaminants. OEHHA implements the Safe Drinking Water and Toxic Enforcement Act of 1986, commonly known as Proposition 65, and compiles the state's list of substances that cause cancer or reproductive harm.",
+ "URL": "https://oehha.ca.gov/proposition-65/chemicals/di-n-butyl-phthalate-dbp",
+ "ANID": 39338676
+ },
+ {
+ "ReferenceNumber": 149,
+ "SourceName": "Toxin and Toxin Target Database (T3DB)",
+ "SourceID": "Compound::T3D0052",
+ "Name": "Dibutyl phthalate",
+ "Description": "The Toxin and Toxin Target Database (T3DB), or, soon to be referred as, the Toxic Exposome Database, is a unique bioinformatics resource that combines detailed toxin data with comprehensive toxin target information.",
+ "URL": "http://www.t3db.ca/toxins/T3D0052",
+ "LicenseNote": "T3DB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (T3DB) and the original publication.",
+ "LicenseURL": "http://www.t3db.ca/downloads",
+ "ANID": 20440453
+ },
+ {
+ "ReferenceNumber": 2,
+ "SourceName": "Australian Industrial Chemicals Introduction Scheme (AICIS)",
+ "SourceID": "as_1262",
+ "Name": "1,2-Benzenedicarboxylic acid, dibutyl ester",
+ "Description": "The Australian Industrial Chemicals Introduction Scheme (AICIS) helps protect the environment by finding out the risks of industrial chemicals and recommending ways to promote their safer use. They regulate chemicals (including polymers) that are manufactured or imported into Australia for an industrial use, such as in inks, paints, adhesives, solvents, cosmetics and personal care products, cleaning products, as well as in manufacturing, construction and mining applications.",
+ "URL": "https://services.industrialchemicals.gov.au/search-assessments/",
+ "LicenseURL": "https://www.industrialchemicals.gov.au/copyright",
+ "ANID": 39355843
+ },
+ {
+ "ReferenceNumber": 5,
+ "SourceName": "CAS Common Chemistry",
+ "SourceID": "84-74-2",
+ "Name": "Dibutyl phthalate",
+ "Description": "CAS Common Chemistry is an open community resource for accessing chemical information. Nearly 500,000 chemical substances from CAS REGISTRY cover areas of community interest, including common and frequently regulated chemicals, and those relevant to high school and undergraduate chemistry classes. This chemical information, curated by our expert scientists, is provided in alignment with our mission as a division of the American Chemical Society.",
+ "URL": "https://commonchemistry.cas.org/detail?cas_rn=84-74-2",
+ "LicenseNote": "The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.",
+ "LicenseURL": "https://creativecommons.org/licenses/by-nc/4.0/",
+ "ANID": 12731646
+ },
+ {
+ "ReferenceNumber": 9,
+ "SourceName": "ChemIDplus",
+ "SourceID": "0000084742",
+ "Name": "Dibutyl phthalate [NF]",
+ "Description": "ChemIDplus is a free, web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases, including the TOXNET system.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000084742",
+ "LicenseURL": "https://www.nlm.nih.gov/copyright.html",
+ "IsToxnet": true,
+ "ANID": 763513
+ },
+ {
+ "ReferenceNumber": 14,
+ "SourceName": "DrugBank",
+ "SourceID": "DB13716",
+ "Name": "Dibutylphthalate",
+ "Description": "The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.",
+ "URL": "https://www.drugbank.ca/drugs/DB13716",
+ "LicenseNote": "Creative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)",
+ "LicenseURL": "https://www.drugbank.ca/legal/terms_of_use",
+ "ANID": 8176508
+ },
+ {
+ "ReferenceNumber": 15,
+ "SourceName": "DTP/NCI",
+ "SourceID": "NSC 755894",
+ "Name": "dibutyl phthalate",
+ "Description": "The NCI Development Therapeutics Program (DTP) provides services and resources to the academic and private-sector research communities worldwide to facilitate the discovery and development of new cancer therapeutic agents.",
+ "URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=755894",
+ "LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.",
+ "LicenseURL": "https://www.cancer.gov/policies/copyright-reuse",
+ "ANID": 6608876
+ },
+ {
+ "ReferenceNumber": 16,
+ "SourceName": "DTP/NCI",
+ "SourceID": "NSC 6370",
+ "Name": "dibutyl phthalate",
+ "Description": "The NCI Development Therapeutics Program (DTP) provides services and resources to the academic and private-sector research communities worldwide to facilitate the discovery and development of new cancer therapeutic agents.",
+ "URL": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6370",
+ "LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.",
+ "LicenseURL": "https://www.cancer.gov/policies/copyright-reuse",
+ "ANID": 6872322
+ },
+ {
+ "ReferenceNumber": 19,
+ "SourceName": "EPA Chemical Data Reporting (CDR)",
+ "SourceID": "cb1425902d0620dbbfb35a4efc29c0e0",
+ "Name": "1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester",
+ "Description": "The non-confidential content of the EPA Chemical Data Reporting.",
+ "URL": "https://www.epa.gov/chemical-data-reporting",
+ "LicenseNote": "The U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce these documents, or allow others to do so, for U.S. Government purposes. These documents may be freely distributed and used for non-commercial, scientific and educational purposes.",
+ "LicenseURL": "https://www.epa.gov/web-policies-and-procedures/epa-disclaimers#copyright",
+ "ANID": 38385741
+ },
+ {
+ "ReferenceNumber": 20,
+ "SourceName": "EPA Chemicals under the TSCA",
+ "SourceID": "0f2b70ee48e9aa70ed9bc7fd87f81ff5",
+ "Name": "1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester",
+ "Description": "EPA Chemicals under the Toxic Substances Control Act (TSCA) collection contains information on chemicals and their regulations under TSCA.",
+ "URL": "https://www.epa.gov/chemicals-under-tsca",
+ "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources",
+ "ANID": 38387899
+ },
+ {
+ "ReferenceNumber": 21,
+ "SourceName": "EPA DSSTox",
+ "SourceID": "DTXSID2021781",
+ "Name": "Dibutyl 1,2-benzenedicarboxylate",
+ "Description": "DSSTox provides a high quality public chemistry resource for supporting improved predictive toxicology.",
+ "URL": "https://comptox.epa.gov/dashboard/DTXSID2021781",
+ "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources",
+ "ANID": 1150130
+ },
+ {
+ "ReferenceNumber": 22,
+ "SourceName": "EPA Integrated Risk Information System (IRIS)",
+ "SourceID": "iris_38",
+ "Name": "Dibutyl phthalate (DBP)",
+ "Description": "IRIS assessments provide the toxicity values for health effects resulting from chronic exposure to chemicals.",
+ "URL": "https://iris.epa.gov/ChemicalLanding/&substance_nmbr=38",
+ "LicenseURL": "https://www.epa.gov/web-policies-and-procedures/epa-disclaimers#copyright",
+ "ANID": 38895189
+ },
+ {
+ "ReferenceNumber": 26,
+ "SourceName": "European Chemicals Agency (ECHA)",
+ "SourceID": "201-557-4",
+ "Name": "Dibutyl phthalate",
+ "Description": "The European Chemicals Agency (ECHA) is an agency of the European Union which is the driving force among regulatory authorities in implementing the EU's groundbreaking chemicals legislation for the benefit of human health and the environment as well as for innovation and competitiveness.",
+ "URL": "https://chem.echa.europa.eu/100.001.416",
+ "LicenseNote": "Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: \"Source: European Chemicals Agency, http://echa.europa.eu/\". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.",
+ "LicenseURL": "https://echa.europa.eu/web/guest/legal-notice",
+ "ANID": 1977426
+ },
+ {
+ "ReferenceNumber": 27,
+ "SourceName": "FDA Global Substance Registration System (GSRS)",
+ "SourceID": "2286E5R2KE",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "The FDA Global Substance Registration System (GSRS) enables the efficient and accurate exchange of information on what substances are in regulated products. Instead of relying on names, which vary across regulatory domains, countries, and regions, the GSRS knowledge base makes it possible for substances to be defined by standardized, scientific descriptions.",
+ "URL": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2286E5R2KE",
+ "LicenseNote": "Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.",
+ "LicenseURL": "https://www.fda.gov/about-fda/about-website/website-policies#linking",
+ "ANID": 5828054
+ },
+ {
+ "ReferenceNumber": 32,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244",
+ "Name": "Dibutyl phthalate",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "http://www.hmdb.ca/metabolites/HMDB0033244",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 2156353
+ },
+ {
+ "ReferenceNumber": 47,
+ "SourceName": "ILO-WHO International Chemical Safety Cards (ICSCs)",
+ "SourceID": "0036",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "The International Chemical Safety Cards (ICSCs) are data sheets intended to provide essential safety and health information on chemicals in a clear and concise way. The primary aim of the Cards is to promote the safe use of chemicals in the workplace.",
+ "URL": "https://www.ilo.org/dyn/icsc/showcard.display?p_version=2&p_card_id=0036",
+ "LicenseNote": "Creative Commons CC BY 4.0",
+ "LicenseURL": "https://www.ilo.org/global/copyright/lang--en/index.htm",
+ "ANID": 2259952
+ },
+ {
+ "ReferenceNumber": 104,
+ "SourceName": "New Zealand Environmental Protection Authority (EPA)",
+ "SourceID": "015351c4ec6ccd5b3b54c3105a9db75a",
+ "Name": "Dibutyl phthalate",
+ "Description": "The New Zealand Environmental Protection Authority is a government agency for regulating activities that affect Aotearoa New Zealand's environment.",
+ "URL": "https://www.epa.govt.nz/industry-areas/hazardous-substances/guidance-for-importers-and-manufacturers/hazardous-substances-databases/",
+ "LicenseNote": "This work is licensed under the Creative Commons Attribution-ShareAlike 4.0 International licence.",
+ "LicenseURL": "https://www.epa.govt.nz/about-this-site/general-copyright-statement/",
+ "ANID": 37163894
+ },
+ {
+ "ReferenceNumber": 120,
+ "SourceName": "Occupational Safety and Health Administration (OSHA)",
+ "SourceID": "720",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "The OSHA Occupational Chemical Database contains over 800 entries with information such as physical properties, exposure guidelines, etc.",
+ "URL": "https://www.osha.gov/chemicaldata/720",
+ "LicenseNote": "Materials created by the federal government are generally part of the public domain and may be used, reproduced and distributed without permission. Therefore, content on this website which is in the public domain may be used without the prior permission of the U.S. Department of Labor (DOL). Warning: Some content - including both images and text - may be the copyrighted property of others and used by the DOL under a license.",
+ "LicenseURL": "https://www.dol.gov/general/aboutdol/copyright",
+ "ANID": 3411196
+ },
+ {
+ "ReferenceNumber": 146,
+ "SourceName": "The National Institute for Occupational Safety and Health (NIOSH)",
+ "SourceID": "TI0875000",
+ "Name": "Phthalic acid, dibutyl ester",
+ "Description": "The NIOSH Pocket Guide to Chemical Hazards (NPG) provides general industrial hygiene information for workers, employers, and occupational health professionals. It contains safety information and hazard data related to chemical substances or mixtures.",
+ "URL": "https://www.cdc.gov/niosh-rtecs/TID59F8.html",
+ "LicenseNote": "The information provided using CDC Web site is only intended to be general summary information to the public. It is not intended to take the place of either the written law or regulations.",
+ "LicenseURL": "https://www.cdc.gov/Other/disclaimer.html",
+ "ANID": 2268463
+ },
+ {
+ "ReferenceNumber": 3,
+ "SourceName": "Australian Industrial Chemicals Introduction Scheme (AICIS)",
+ "SourceID": "inv_1262",
+ "Name": "1,2-Benzenedicarboxylic acid, dibutyl ester",
+ "Description": "The Australian Industrial Chemicals Introduction Scheme (AICIS) helps protect the environment by finding out the risks of industrial chemicals and recommending ways to promote their safer use. They regulate chemicals (including polymers) that are manufactured or imported into Australia for an industrial use, such as in inks, paints, adhesives, solvents, cosmetics and personal care products, cleaning products, as well as in manufacturing, construction and mining applications.",
+ "URL": "https://services.industrialchemicals.gov.au/search-inventory/",
+ "LicenseURL": "https://www.industrialchemicals.gov.au/copyright",
+ "ANID": 39384030
+ },
+ {
+ "ReferenceNumber": 6,
+ "SourceName": "CCSbase",
+ "SourceID": "3032147596",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "CCSbase curates experimental collision cross section values measured on various ion mobility platforms as a resource for the research community. CCSbase also builds prediction models for comprehensive prediction of collision cross sections for a given molecule.",
+ "ANID": 38987235
+ },
+ {
+ "ReferenceNumber": 8,
+ "SourceName": "ChEMBL",
+ "SourceID": "Compound::CHEMBL272485",
+ "Description": "ChEMBL or ChEMBLdb is a manually curated chemical database of bioactive molecules with drug-like properties. It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory (EMBL), based at the Wellcome Trust Genome Campus, Hinxton, UK.",
+ "URL": "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL272485/",
+ "LicenseNote": "Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).",
+ "LicenseURL": "http://www.ebi.ac.uk/Information/termsofuse.html",
+ "ANID": 31586270
+ },
+ {
+ "ReferenceNumber": 10,
+ "SourceName": "ChemIDplus",
+ "SourceID": "r_134972339",
+ "Description": "The toxicity data was from the legacy RTECS data set in ChemIDplus.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000084742",
+ "LicenseURL": "https://www.nlm.nih.gov/copyright.html",
+ "IsToxnet": true,
+ "ANID": 19464203
+ },
+ {
+ "ReferenceNumber": 11,
+ "SourceName": "Comparative Toxicogenomics Database (CTD)",
+ "SourceID": "D003993::Compound",
+ "Name": "Dibutyl Phthalate",
+ "Description": "CTD is a robust, publicly available database that aims to advance understanding about how environmental exposures affect human health.",
+ "URL": "https://ctdbase.org/detail.go?type=chem&acc=D003993",
+ "LicenseNote": "It is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.",
+ "LicenseURL": "http://ctdbase.org/about/legal.jsp",
+ "ANID": 9023701
+ },
+ {
+ "ReferenceNumber": 48,
+ "SourceName": "IUPHAR/BPS Guide to PHARMACOLOGY",
+ "SourceID": "6295::Compound",
+ "Name": "dibutyl phthalate",
+ "Description": "The IUPHAR database contains quantitative information on drug targets and the prescription medicines and experimental drugs that act on them.\u000AAll entries in BioAssay data are marked as active as our curation SOP means we only extract data from the literature for relatively potent compounds.",
+ "URL": "https://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6295",
+ "LicenseNote": "The Guide to PHARMACOLOGY database is licensed under the Open Data Commons Open Database License (ODbL) https://opendatacommons.org/licenses/odbl/. Its contents are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License (http://creativecommons.org/licenses/by-sa/4.0/)",
+ "LicenseURL": "https://www.guidetopharmacology.org/about.jsp#license",
+ "ANID": 19630703
+ },
+ {
+ "ReferenceNumber": 147,
+ "SourceName": "Therapeutic Target Database (TTD)",
+ "SourceID": "D07FLG",
+ "Name": "dibutyl phthalate",
+ "Description": "Therapeutic Target Database (TTD) is a database to provide information about the known and explored therapeutic protein and nucleic acid targets, the targeted disease, pathway information and the corresponding drugs directed at each of these targets.",
+ "URL": "https://idrblab.net/ttd/data/drug/details/D07FLG",
+ "ANID": 19769680
+ },
+ {
+ "ReferenceNumber": 12,
+ "SourceName": "Consumer Product Information Database (CPID)",
+ "SourceID": "1535",
+ "Name": "Dibutyl phthalate",
+ "Description": "The Consumer Product Information Database (CPID) contains health effects information for products used in the home and in some commercial/institutional settings that contain chemicals. The CPID is unique in that it will, for the first time, link brand names to health effects and allow consumers to select brands based on their individual sensitivity to specific chemical ingredients.",
+ "URL": "https://www.whatsinproducts.com/chemicals/view/1/461/000084-74-2",
+ "LicenseNote": "Copyright (c) 2023 DeLima Associates. All rights reserved. \u000AUnless otherwise indicated, all materials from CPID are copyrighted by DeLima Associates. No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.",
+ "LicenseURL": "https://www.whatsinproducts.com/contents/view/1/6",
+ "ANID": 5125386
+ },
+ {
+ "ReferenceNumber": 13,
+ "SourceName": "Cosmetic Ingredient Review (CIR)",
+ "SourceID": "17f63e9d-9778-ec11-8d21-000d3a991547",
+ "Name": "Dibutyl Phthalate",
+ "Description": "The Cosmetic Ingredient Review (CIR) studies individual chemical compounds as they are used in cosmetic products. CIR relies heavily on the International Nomenclature of Cosmetic Ingredients (INCI) when identifying the ingredients to be assessed. The Expert Panel for Cosmetic Ingredient Safety (Panel) assess the safety of ingredients for use in cosmetics. The function of an ingredient in cosmetics is noted. The Panel reviews the data relevant to the safety of an ingredient and concludes whether an ingredient is safe in cosmetics in the present practices of use and concentration described in a safety assessment.",
+ "URL": "https://cir-reports.cir-safety.org/cir-ingredient-status-report/?id=17f63e9d-9778-ec11-8d21-000d3a991547",
+ "LicenseURL": "https://cir-safety.org/terms-use",
+ "ANID": 38998011
+ },
+ {
+ "ReferenceNumber": 18,
+ "SourceName": "EPA Chemical and Products Database (CPDat)",
+ "SourceID": "6595_DTXSID2021781",
+ "Name": "",
+ "Description": "The US EPA Chemical and Products Database (CPDat) is a database containing information mapping more than 49,000 chemicals to a set of terms categorizing their usage or function in 16,000 consumer products (e.g. shampoo, soap) types based on what chemicals they contain.",
+ "URL": "https://comptox.epa.gov/dashboard/DTXSID2021781#exposure",
+ "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources",
+ "ANID": 13733497
+ },
+ {
+ "ReferenceNumber": 23,
+ "SourceName": "EPA Regional Screening Levels for Chemical Contaminants at Superfund Sites",
+ "SourceID": "rsl01_645",
+ "Name": "Dibutyl Phthalate",
+ "Description": "The Regional Screening Levels are the source of environmental screening levels for Superfund sites in all the EPA regions. The RSL tables provide comparison values for residential and commercial/industrial exposures to soil, air, and tapwater (drinking water). The RSLs are risk-based screening levels, calculated using the latest toxicity values, default exposure assumptions and physical and chemical properties. Values in this table are based on Hazard Quotient Level 0.1. https://www.epa.gov/risk/regional-screening-levels-rsls",
+ "URL": "https://epa-prgs.ornl.gov/cgi-bin/chemicals/csl_search",
+ "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources",
+ "ANID": 2436247
+ },
+ {
+ "ReferenceNumber": 24,
+ "SourceName": "EPA Regional Screening Levels for Chemical Contaminants at Superfund Sites",
+ "SourceID": "rml3_645",
+ "Name": "Dibutyl Phthalate",
+ "Description": "The Regional Removal Management Levels (RMLs) presented here are chemical-specific concentrations for individual contaminants in tap water, air, and soil. Values in this table are based on Hazard Quotient Level 3. https://www.epa.gov/risk/regional-removal-management-levels-chemicals-rmls",
+ "URL": "https://epa-prgs.ornl.gov/cgi-bin/chemicals/csl_search?tool=rml",
+ "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources",
+ "ANID": 8259049
+ },
+ {
+ "ReferenceNumber": 25,
+ "SourceName": "European Chemicals Agency (ECHA)",
+ "SourceID": "16769",
+ "Name": "Dibutyl phthalate",
+ "Description": "The information provided here is aggregated from the \"Notified classification and labelling\" from ECHA's C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database",
+ "URL": "https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/16769",
+ "LicenseNote": "Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: \"Source: European Chemicals Agency, http://echa.europa.eu/\". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.",
+ "LicenseURL": "https://echa.europa.eu/web/guest/legal-notice",
+ "ANID": 1855904
+ },
+ {
+ "ReferenceNumber": 30,
+ "SourceName": "Hazardous Chemical Information System (HCIS), Safe Work Australia",
+ "SourceID": "1220",
+ "Name": "dibutyl phthalate",
+ "Description": "The Hazardous Chemical Information System (HCIS) at the Safe Work Australia is a database of chemical classifications and workplace exposure standards. It allows users to find information on chemicals that have been classified in accordance with the GHS or which have an Australian Workplace Exposure Standard.",
+ "URL": "http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=1220",
+ "ANID": 2280000
+ },
+ {
+ "ReferenceNumber": 114,
+ "SourceName": "NITE-CMC",
+ "SourceID": "25B0015",
+ "Name": "Di-n-butyl phthalate - FY2013 (Revised classification)",
+ "Description": "The chemical classification in this section was conducted by the Chemical Management Center (CMC) of Japan National Institute of Technology and Evaluation (NITE) in accordance with GHS Classification Guidance for the Japanese Government, and is intended to provide a reference for preparing GHS labelling and SDS for users.",
+ "URL": "https://www.nite.go.jp/chem/english/ghs/13-mhlw-2015e.html",
+ "ANID": 2264330
+ },
+ {
+ "ReferenceNumber": 115,
+ "SourceName": "NITE-CMC",
+ "SourceID": "182",
+ "Name": "Di-n-butyl phthalate - FY2007 (Revised classification)",
+ "Description": "The chemical classification in this section was conducted by the Chemical Management Center (CMC) of Japan National Institute of Technology and Evaluation (NITE) in accordance with GHS Classification Guidance for the Japanese Government, and is intended to provide a reference for preparing GHS labelling and SDS for users.",
+ "URL": "https://www.nite.go.jp/chem/english/ghs/07-meti-2008e.html",
+ "ANID": 8787109
+ },
+ {
+ "ReferenceNumber": 116,
+ "SourceName": "NITE-CMC",
+ "SourceID": "R04_C_017_JNIOSH,MOE",
+ "Name": "Di-n-butyl phthalate - FY2022 (Revised classification)",
+ "Description": "The chemical classification in this section was conducted by the Chemical Management Center (CMC) of Japan National Institute of Technology and Evaluation (NITE) in accordance with GHS Classification Guidance for the Japanese Government, and is intended to provide a reference for preparing GHS labelling and SDS for users.",
+ "URL": "https://www.nite.go.jp/chem/english/ghs/22-jniosh-2053e.html",
+ "ANID": 39311639
+ },
+ {
+ "ReferenceNumber": 117,
+ "SourceName": "NITE-CMC",
+ "SourceID": "182_580",
+ "Name": "Di-n-butyl phthalate - FY2006 (New/original classication)",
+ "Description": "The chemical classification in this section was conducted by the Chemical Management Center (CMC) of Japan National Institute of Technology and Evaluation (NITE) in accordance with GHS Classification Guidance for the Japanese Government, and is intended to provide a reference for preparing GHS labelling and SDS for users.",
+ "URL": "https://www.nite.go.jp/chem/english/ghs/06-imcg-0179e.html",
+ "ANID": 39311640
+ },
+ {
+ "ReferenceNumber": 125,
+ "SourceName": "Regulation (EC) No 1272/2008 of the European Parliament and of the Council",
+ "SourceID": "607-318-00-4",
+ "Name": "dibutyl phthalate; DBP",
+ "Description": "Regulation (EC) No 1272/2008 of the European Parliament and of the Council of 16 December 2008 on classification, labelling and packaging of substances and mixtures.",
+ "URL": "https://eur-lex.europa.eu/eli/reg/2008/1272/2023-07-31",
+ "LicenseNote": "The copyright for the editorial content of this source, the summaries of EU legislation and the consolidated texts, which is owned by the EU, is licensed under the Creative Commons Attribution 4.0 International licence.",
+ "LicenseURL": "https://eur-lex.europa.eu/content/legal-notice/legal-notice.html",
+ "ANID": 393547
+ },
+ {
+ "ReferenceNumber": 28,
+ "SourceName": "FooDB",
+ "SourceID": "Compound::FDB011261",
+ "Name": "Dibutyl phthalate",
+ "Description": "FooDB is the world's largest and most comprehensive resource on food constituents, chemistry and biology. It provides information on both macronutrients and micronutrients, including many of the constituents that give foods their flavor, color, taste, texture and aroma.",
+ "URL": "https://foodb.ca/compounds/FDB011261",
+ "LicenseNote": "FooDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (FooDB) and the original publication.",
+ "LicenseURL": "https://foodb.ca/about",
+ "ANID": 38490592
+ },
+ {
+ "ReferenceNumber": 134,
+ "SourceName": "SpectraBase",
+ "SourceID": "KsuPWW8QSki",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/KsuPWW8QSki",
+ "ANID": 4895370
+ },
+ {
+ "ReferenceNumber": 139,
+ "SourceName": "SpectraBase",
+ "SourceID": "89tQfV8SEDW",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/89tQfV8SEDW",
+ "ANID": 10357848
+ },
+ {
+ "ReferenceNumber": 80,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_28",
+ "Name": "1,2-BENZENEDICARBOXYLIC ACID DIBUTYL ESTER",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13663891
+ },
+ {
+ "ReferenceNumber": 81,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_29",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13663892
+ },
+ {
+ "ReferenceNumber": 82,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_30",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13663893
+ },
+ {
+ "ReferenceNumber": 83,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_31",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13663894
+ },
+ {
+ "ReferenceNumber": 84,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_32",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13663895
+ },
+ {
+ "ReferenceNumber": 33,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_cms_101317",
+ "Name": "HMDB0033244_cms_101317",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 15326954
+ },
+ {
+ "ReferenceNumber": 34,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_cms_101318",
+ "Name": "HMDB0033244_cms_101318",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 15326955
+ },
+ {
+ "ReferenceNumber": 35,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_cms_101319",
+ "Name": "HMDB0033244_cms_101319",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 15326956
+ },
+ {
+ "ReferenceNumber": 36,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_cms_101320",
+ "Name": "HMDB0033244_cms_101320",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 15326957
+ },
+ {
+ "ReferenceNumber": 37,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_cms_101321",
+ "Name": "HMDB0033244_cms_101321",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 15326958
+ },
+ {
+ "ReferenceNumber": 38,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_cms_27120",
+ "Name": "HMDB0033244_cms_27120",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 15326959
+ },
+ {
+ "ReferenceNumber": 53,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_1",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13621860
+ },
+ {
+ "ReferenceNumber": 54,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_2",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13621861
+ },
+ {
+ "ReferenceNumber": 55,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_3",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13621862
+ },
+ {
+ "ReferenceNumber": 56,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_4",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13623638
+ },
+ {
+ "ReferenceNumber": 57,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_5",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636854
+ },
+ {
+ "ReferenceNumber": 95,
+ "SourceName": "MassBank of North America (MoNA)",
+ "SourceID": "JP005814",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 42 MS data records(42 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27DOIRQSBPFJWKBE-UHFFFAOYSA-N%27)",
+ "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
+ "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
+ "ANID": 3421515
+ },
+ {
+ "ReferenceNumber": 96,
+ "SourceName": "MassBank of North America (MoNA)",
+ "SourceID": "JP006128",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 42 MS data records(42 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27DOIRQSBPFJWKBE-UHFFFAOYSA-N%27)",
+ "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
+ "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
+ "ANID": 3421802
+ },
+ {
+ "ReferenceNumber": 97,
+ "SourceName": "MassBank of North America (MoNA)",
+ "SourceID": "JP008514",
+ "Name": "DIBUTYL PHTHALATE",
+ "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 42 MS data records(42 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27DOIRQSBPFJWKBE-UHFFFAOYSA-N%27)",
+ "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
+ "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
+ "ANID": 8281404
+ },
+ {
+ "ReferenceNumber": 106,
+ "SourceName": "NIST Mass Spectrometry Data Center",
+ "SourceID": "GC-MS #1 for DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "Name": "Dibutyl phthalate",
+ "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
+ "URL": "http://www.nist.gov/srd/nist1a.cfm",
+ "LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
+ "LicenseURL": "https://www.nist.gov/srd/public-law",
+ "ANID": 143717
+ },
+ {
+ "ReferenceNumber": 107,
+ "SourceName": "NIST Mass Spectrometry Data Center",
+ "SourceID": "GC-MS #2 for DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "Name": "Dibutyl phthalate",
+ "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
+ "URL": "http://www.nist.gov/srd/nist1a.cfm",
+ "LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
+ "LicenseURL": "https://www.nist.gov/srd/public-law",
+ "ANID": 271069
+ },
+ {
+ "ReferenceNumber": 108,
+ "SourceName": "NIST Mass Spectrometry Data Center",
+ "SourceID": "GC-MS #3 for DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "Name": "Dibutyl phthalate",
+ "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
+ "URL": "http://www.nist.gov/srd/nist1a.cfm",
+ "LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
+ "LicenseURL": "https://www.nist.gov/srd/public-law",
+ "ANID": 271146
+ },
+ {
+ "ReferenceNumber": 109,
+ "SourceName": "NIST Mass Spectrometry Data Center",
+ "SourceID": "GC-MS #4 for DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "Name": "Dibutyl phthalate",
+ "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
+ "URL": "http://www.nist.gov/srd/nist1a.cfm",
+ "LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
+ "LicenseURL": "https://www.nist.gov/srd/public-law",
+ "ANID": 271159
+ },
+ {
+ "ReferenceNumber": 110,
+ "SourceName": "NIST Mass Spectrometry Data Center",
+ "SourceID": "GC-MS #5 for DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "Name": "Dibutyl phthalate",
+ "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
+ "URL": "http://www.nist.gov/srd/nist1a.cfm",
+ "LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
+ "LicenseURL": "https://www.nist.gov/srd/public-law",
+ "ANID": 271166
+ },
+ {
+ "ReferenceNumber": 126,
+ "SourceName": "SpectraBase",
+ "SourceID": "Lf9tmuECvJ3",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/Lf9tmuECvJ3",
+ "ANID": 4895358
+ },
+ {
+ "ReferenceNumber": 127,
+ "SourceName": "SpectraBase",
+ "SourceID": "3hqYbaimyXD",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/3hqYbaimyXD",
+ "ANID": 4895359
+ },
+ {
+ "ReferenceNumber": 39,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_nmr_one_2672",
+ "Name": "HMDB0033244_nmr_one_2672",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 15340684
+ },
+ {
+ "ReferenceNumber": 133,
+ "SourceName": "SpectraBase",
+ "SourceID": "B7m5RBWg30U",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/B7m5RBWg30U",
+ "ANID": 4895369
+ },
+ {
+ "ReferenceNumber": 140,
+ "SourceName": "SpectraBase",
+ "SourceID": "Euw57g3qqBZ",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/Euw57g3qqBZ",
+ "ANID": 13601499
+ },
+ {
+ "ReferenceNumber": 40,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_nmr_one_3359",
+ "Name": "HMDB0033244_nmr_one_3359",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 15340685
+ },
+ {
+ "ReferenceNumber": 132,
+ "SourceName": "SpectraBase",
+ "SourceID": "HeyCheBvlyi",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/HeyCheBvlyi",
+ "ANID": 4895368
+ },
+ {
+ "ReferenceNumber": 138,
+ "SourceName": "SpectraBase",
+ "SourceID": "KAbY7V5vefY",
+ "Name": "Phthalic acid, dibutyl ester",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/KAbY7V5vefY",
+ "ANID": 10357802
+ },
+ {
+ "ReferenceNumber": 41,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_msms_2226633",
+ "Name": "HMDB0033244_msms_2226633",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 19280100
+ },
+ {
+ "ReferenceNumber": 42,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_msms_2226649",
+ "Name": "HMDB0033244_msms_2226649",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 19280101
+ },
+ {
+ "ReferenceNumber": 43,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_msms_2228055",
+ "Name": "HMDB0033244_msms_2228055",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 19280102
+ },
+ {
+ "ReferenceNumber": 44,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_msms_2228109",
+ "Name": "HMDB0033244_msms_2228109",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 19280103
+ },
+ {
+ "ReferenceNumber": 45,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_msms_2229011",
+ "Name": "HMDB0033244_msms_2229011",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 19280104
+ },
+ {
+ "ReferenceNumber": 46,
+ "SourceName": "Human Metabolome Database (HMDB)",
+ "SourceID": "HMDB0033244_msms_2229022",
+ "Name": "HMDB0033244_msms_2229022",
+ "Description": "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body.",
+ "URL": "https://hmdb.ca/metabolites/HMDB0033244#spectra",
+ "LicenseNote": "\u0009HMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.",
+ "LicenseURL": "http://www.hmdb.ca/citing",
+ "ANID": 19280105
+ },
+ {
+ "ReferenceNumber": 111,
+ "SourceName": "NIST Mass Spectrometry Data Center",
+ "SourceID": "MS-MS #1 for DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "Name": "Dibutyl phthalate",
+ "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
+ "URL": "http://www.nist.gov/srd/nist1a.cfm",
+ "LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
+ "LicenseURL": "https://www.nist.gov/srd/public-law",
+ "ANID": 286087
+ },
+ {
+ "ReferenceNumber": 112,
+ "SourceName": "NIST Mass Spectrometry Data Center",
+ "SourceID": "MS-MS #2 for DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "Name": "Dibutyl phthalate",
+ "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
+ "URL": "http://www.nist.gov/srd/nist1a.cfm",
+ "LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
+ "LicenseURL": "https://www.nist.gov/srd/public-law",
+ "ANID": 290211
+ },
+ {
+ "ReferenceNumber": 49,
+ "SourceName": "Japan Chemical Substance Dictionary (Nikkaji)",
+ "SourceID": "J3.882B",
+ "Description": "The Japan Chemical Substance Dictionary (Nikkaji) has a search system that helps obtain knowledge from dissimilar fields and discover concepts that cross boundaries of specializations.",
+ "URL": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.882B",
+ "ANID": 23619304
+ },
+ {
+ "ReferenceNumber": 50,
+ "SourceName": "KEGG",
+ "SourceID": "C14214",
+ "Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
+ "URL": "https://www.kegg.jp/entry/C14214",
+ "LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
+ "LicenseURL": "https://www.kegg.jp/kegg/legal.html",
+ "ANID": 31102879
+ },
+ {
+ "ReferenceNumber": 51,
+ "SourceName": "KNApSAcK Species-Metabolite Database",
+ "SourceID": "Compound::C00053140",
+ "Name": "Dibutyl phthalate",
+ "Description": "KNApSAcK is a comprehensive species-metabolite relationship database for analyzing datasets of mass spectra that are prepared according to a particular format, as well as for retrieving information on metabolites.",
+ "URL": "http://www.knapsackfamily.com/knapsack_core/info.php?sname=C_ID&word=C00053140",
+ "ANID": 20109210
+ },
+ {
+ "ReferenceNumber": 102,
+ "SourceName": "Natural Product Activity and Species Source (NPASS)",
+ "SourceID": "NPC10251",
+ "Name": "Dibutyl Phthalate",
+ "Description": "The Natural Product Activity and Species Source Database (NPASS) is developed to provide a freely accessible database integrating detailed information of species sources and biological activities of natural products.",
+ "URL": "https://bidd.group/NPASS/compound.php?compoundID=NPC10251",
+ "ANID": 20328502
+ },
+ {
+ "ReferenceNumber": 58,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_6",
+ "Name": "Dibutylphthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636855
+ },
+ {
+ "ReferenceNumber": 59,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_7",
+ "Name": "Dibutylphthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636856
+ },
+ {
+ "ReferenceNumber": 60,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_8",
+ "Name": "Dibutylphthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636857
+ },
+ {
+ "ReferenceNumber": 61,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_9",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636858
+ },
+ {
+ "ReferenceNumber": 62,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_10",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636859
+ },
+ {
+ "ReferenceNumber": 63,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_11",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636860
+ },
+ {
+ "ReferenceNumber": 64,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_12",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636861
+ },
+ {
+ "ReferenceNumber": 65,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_13",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636862
+ },
+ {
+ "ReferenceNumber": 66,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_14",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636863
+ },
+ {
+ "ReferenceNumber": 67,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_15",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636864
+ },
+ {
+ "ReferenceNumber": 68,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_16",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636865
+ },
+ {
+ "ReferenceNumber": 69,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_17",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636866
+ },
+ {
+ "ReferenceNumber": 70,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_18",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636867
+ },
+ {
+ "ReferenceNumber": 71,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_19",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636868
+ },
+ {
+ "ReferenceNumber": 72,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_20",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636869
+ },
+ {
+ "ReferenceNumber": 73,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_21",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636870
+ },
+ {
+ "ReferenceNumber": 74,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_22",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13636871
+ },
+ {
+ "ReferenceNumber": 75,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_23",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13640266
+ },
+ {
+ "ReferenceNumber": 76,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_24",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13641809
+ },
+ {
+ "ReferenceNumber": 77,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_25",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13644169
+ },
+ {
+ "ReferenceNumber": 78,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_26",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13644473
+ },
+ {
+ "ReferenceNumber": 79,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_27",
+ "Name": "Di-n-butyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13646756
+ },
+ {
+ "ReferenceNumber": 85,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_33",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13663896
+ },
+ {
+ "ReferenceNumber": 86,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_34",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13693771
+ },
+ {
+ "ReferenceNumber": 87,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_35",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13693772
+ },
+ {
+ "ReferenceNumber": 88,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_36",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13693773
+ },
+ {
+ "ReferenceNumber": 89,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_37",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 13693774
+ },
+ {
+ "ReferenceNumber": 90,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_38",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 15073098
+ },
+ {
+ "ReferenceNumber": 91,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_39",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 15074142
+ },
+ {
+ "ReferenceNumber": 92,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_40",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 15074143
+ },
+ {
+ "ReferenceNumber": 93,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_41",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 15074144
+ },
+ {
+ "ReferenceNumber": 94,
+ "SourceName": "MassBank Europe",
+ "SourceID": "DOIRQSBPFJWKBE-UHFFFAOYSA-N_42",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank Europe (MassBank.EU) was created in 2011 as an open access database of mass spectra of emerging substances to support identification of unknown substances within the NORMAN Network (https://www.norman-network.com/). MassBank.EU is the partner project of MassBank.JP, hosted at the Helmholtz Centre for Environmental Research (UFZ) Leipzig and jointly maintained by UFZ, LCSB (University of Luxembourg) and IPB Halle.",
+ "URL": "https://massbank.eu/MassBank/Result.jsp?inchikey=DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "LicenseURL": "https://github.com/MassBank/MassBank-web/blob/main/MassBank-Project/LICENSE.txt",
+ "ANID": 15074145
+ },
+ {
+ "ReferenceNumber": 98,
+ "SourceName": "MassBank of North America (MoNA)",
+ "SourceID": "UF418004",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 42 MS data records(42 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27DOIRQSBPFJWKBE-UHFFFAOYSA-N%27)",
+ "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
+ "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
+ "ANID": 24810705
+ },
+ {
+ "ReferenceNumber": 99,
+ "SourceName": "MassBank of North America (MoNA)",
+ "SourceID": "UF418003",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 42 MS data records(42 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27DOIRQSBPFJWKBE-UHFFFAOYSA-N%27)",
+ "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
+ "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
+ "ANID": 24810706
+ },
+ {
+ "ReferenceNumber": 100,
+ "SourceName": "MassBank of North America (MoNA)",
+ "SourceID": "UF418002",
+ "Name": "Dibutyl phthalate",
+ "Description": "MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. There are total 42 MS data records(42 experimental records) for this compound, click the link above to see all spectral information at MoNA website.",
+ "URL": "https://mona.fiehnlab.ucdavis.edu/spectra/browse?query=exists(compound.metaData.name:%27InChIKey%27%20and%20compound.metaData.value:%27DOIRQSBPFJWKBE-UHFFFAOYSA-N%27)",
+ "LicenseNote": "The content of the MoNA database is licensed under CC BY 4.0.",
+ "LicenseURL": "https://mona.fiehnlab.ucdavis.edu/documentation/license",
+ "ANID": 24810707
+ },
+ {
+ "ReferenceNumber": 101,
+ "SourceName": "Metabolomics Workbench",
+ "SourceID": "45953",
+ "Name": "Dibutyl phthalate",
+ "Description": "The Metabolomics Workbench serves as a national and international repository for metabolomics data and metadata and provides analysis tools and access to metabolite standards, protocols, tutorials, training, and more.",
+ "URL": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45953",
+ "ANID": 20206773
+ },
+ {
+ "ReferenceNumber": 103,
+ "SourceName": "NCI Thesaurus (NCIt)",
+ "SourceID": "C76745::Compound",
+ "Description": "NCI Thesaurus (NCIt), from the U.S. National Cancer Institute, provides reference terminology for many NCI and other systems. It covers vocabulary for clinical care, translational and basic research, and public information and administrative activities.",
+ "URL": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76745",
+ "LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.",
+ "LicenseURL": "https://www.cancer.gov/policies/copyright-reuse",
+ "ANID": 19446141
+ },
+ {
+ "ReferenceNumber": 105,
+ "SourceName": "NIOSH Manual of Analytical Methods",
+ "SourceID": "5020_817",
+ "Name": "84-74-2",
+ "Description": "NMAM (NIOSH Manual of Analytical Methods) is a collection of methods for sampling and analysis of contaminants in workplace air, and in the blood and urine of workers who are occupationally exposed.",
+ "URL": "https://www.cdc.gov/niosh/docs/2003-154/pdfs/5020.pdf",
+ "LicenseNote": "The information provided using CDC Web site is only intended to be general summary information to the public. It is not intended to take the place of either the written law or regulations.",
+ "LicenseURL": "https://www.cdc.gov/Other/disclaimer.html",
+ "ANID": 20063282
+ },
+ {
+ "ReferenceNumber": 113,
+ "SourceName": "NIST Mass Spectrometry Data Center",
+ "SourceID": "RI for DOIRQSBPFJWKBE-UHFFFAOYSA-N",
+ "Name": "Dibutyl phthalate",
+ "Description": "The NIST Mass Spectrometry Data Center, a Group in the Biomolecular Measurement Division (BMD), develops evaluated mass spectral libraries and provides related software tools. These products are intended to assist compound identification by providing reference mass spectra for GC/MS (by electron ionization) and LC-MS/MS (by tandem mass spectrometry) as well as gas phase retention indices for GC.",
+ "URL": "http://www.nist.gov/srd/nist1a.cfm",
+ "LicenseNote": "Data covered by the Standard Reference Data Act of 1968 as amended.",
+ "LicenseURL": "https://www.nist.gov/srd/public-law",
+ "ANID": 307997
+ },
+ {
+ "ReferenceNumber": 121,
+ "SourceName": "Pharos",
+ "SourceID": "Compound::M1L7MKCTM99C",
+ "Name": "dibutyl phthalate",
+ "Description": "Pharos gives access to a comprehensive, integrated knowledge-base for the Druggable Genome (DG) to illuminate the uncharacterized and/or poorly annotated portion of the DG, focusing on three of the most commonly drug-targeted protein families: G-protein-coupled receptors (GPCRs), Ion channels (ICs) and Kinases. It is the user interface to the Knowledge Management Center (KMC) for the Illuminating the Druggable Genome (IDG) program.",
+ "URL": "https://pharos.nih.gov/ligands/M1L7MKCTM99C",
+ "LicenseNote": "Data accessed from Pharos and TCRD is publicly available from the primary sources listed above. Please respect their individual licenses regarding proper use and redistribution.",
+ "LicenseURL": "https://pharos.nih.gov/about",
+ "ANID": 24600841
+ },
+ {
+ "ReferenceNumber": 122,
+ "SourceName": "Protein Data Bank in Europe (PDBe)",
+ "SourceID": "DB7",
+ "Description": "The Protein Data Bank in Europe (PDBe) manages the PDB with its wwPDB partners and provides a high-quality, up-to-date and integrated resource of macromolecular structures to support basic and applied research and education across the sciences.",
+ "URL": "http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/DB7",
+ "ANID": 8209943
+ },
+ {
+ "ReferenceNumber": 124,
+ "SourceName": "RCSB Protein Data Bank (RCSB PDB)",
+ "SourceID": "3026",
+ "Description": "The RCSB Protein Data Bank (PDB) contains crystallographic data defining 3D shapes of proteins, nucleic acids, and complex assemblies that helps students and researchers understand all aspects of biomedicine and agriculture, from protein synthesis to health and disease.",
+ "URL": "https://www.rcsb.org/",
+ "LicenseNote": "Data files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.",
+ "LicenseURL": "https://www.rcsb.org/pages/policies",
+ "ANID": 13146010
+ },
+ {
+ "ReferenceNumber": 128,
+ "SourceName": "SpectraBase",
+ "SourceID": "Byzv9mminOe",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/Byzv9mminOe",
+ "ANID": 4895361
+ },
+ {
+ "ReferenceNumber": 129,
+ "SourceName": "SpectraBase",
+ "SourceID": "K5TaXttqXWh",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/K5TaXttqXWh",
+ "ANID": 4895362
+ },
+ {
+ "ReferenceNumber": 130,
+ "SourceName": "SpectraBase",
+ "SourceID": "L16hYvm4Krd",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/L16hYvm4Krd",
+ "ANID": 4895363
+ },
+ {
+ "ReferenceNumber": 135,
+ "SourceName": "SpectraBase",
+ "SourceID": "3gtatMDlEna",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/3gtatMDlEna",
+ "ANID": 4895372
+ },
+ {
+ "ReferenceNumber": 131,
+ "SourceName": "SpectraBase",
+ "SourceID": "LDMqme2SPI",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/LDMqme2SPI",
+ "ANID": 4895367
+ },
+ {
+ "ReferenceNumber": 141,
+ "SourceName": "SpectraBase",
+ "SourceID": "GZNXMCgysCe",
+ "Name": "Dibutyl phthalate",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/GZNXMCgysCe",
+ "ANID": 13601500
+ },
+ {
+ "ReferenceNumber": 136,
+ "SourceName": "SpectraBase",
+ "SourceID": "GcSCRIbBTPW",
+ "Name": "1,2-Benzenedicarboxylic acid, dibutyl ester",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/GcSCRIbBTPW",
+ "ANID": 10357797
+ },
+ {
+ "ReferenceNumber": 137,
+ "SourceName": "SpectraBase",
+ "SourceID": "Fl22jrgd6SS",
+ "Name": "1,2-Benzenedicarboxylic acid, dibutyl ester",
+ "Description": "Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.",
+ "URL": "https://spectrabase.com/spectrum/Fl22jrgd6SS",
+ "ANID": 10357798
+ },
+ {
+ "ReferenceNumber": 142,
+ "SourceName": "Springer Nature",
+ "SourceID": "20045741-155776569",
+ "Description": "Springer Nature is the world's largest academic book publisher, publisher of the world's most influential journals, and a pioneer in the field of open research. SpringerLink provides electronic access to its book and journal content.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=15745&sourceid=20045741-155776569",
+ "ANID": 3847833
+ },
+ {
+ "ReferenceNumber": 143,
+ "SourceName": "SpringerMaterials",
+ "SourceID": "smsid_tplqjgojlcanqiuk",
+ "Name": "phthalic acid dibutyl ester",
+ "Description": "Springer Nature is the leading scientific publisher in the fields of science and related areas. The company not only publishes best-in-class scientific journals and books but is also a well-known organization compiling databases for scientific applications. Amongst these databases, SpringerMaterials helps scientist to find and use property data of materials and chemical substances.",
+ "URL": "https://materials.springer.com/substanceprofile/docs/smsid_tplqjgojlcanqiuk",
+ "ANID": 8752796
+ },
+ {
+ "ReferenceNumber": 148,
+ "SourceName": "Thieme Chemistry",
+ "SourceID": "20045741-155776569",
+ "Description": "Thieme Chemistry is part of the privately owned Thieme Group and publishes highly evaluated information about synthetic and general chemistry for professional chemists and advanced students since 1909. \u000A \u000AOur portfolio includes the journals SYNFACTS, SYNLETT, SYNTHESIS and SynOpen, the synthetic methodology reference work Science of Synthesis, the German chemical encyclopedia ROEMPP, and monographs in electronic and printed format. The Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license (https://creativecommons.org/licenses/by-nc-nd/4.0/), unless otherwise stated.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=22163&sourceid=20045741-155776569",
+ "LicenseNote": "The Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.",
+ "LicenseURL": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
+ "ANID": 5486760
+ },
+ {
+ "ReferenceNumber": 151,
+ "SourceName": "WHO Anatomical Therapeutic Chemical (ATC) Classification",
+ "SourceID": "P03BX03",
+ "Name": "Dibutylphthalate",
+ "Description": "The WHO Anatomical Therapeutic Chemical (ATC) Classification System is a classification of active ingredients of drugs according to the organ or system on which they act and their therapeutic, pharmacological and chemical properties.",
+ "URL": "https://www.whocc.no/atc_ddd_index/?code=P03BX03",
+ "LicenseNote": "Use of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.",
+ "LicenseURL": "https://www.whocc.no/copyright_disclaimer/",
+ "ANID": 24385987
+ },
+ {
+ "ReferenceNumber": 152,
+ "SourceName": "Wikidata",
+ "SourceID": "Q415612",
+ "Name": "Dibutyl_phthalate",
+ "Description": "Link to the compound information in Wikidata.",
+ "URL": "https://www.wikidata.org/wiki/Q415612",
+ "LicenseNote": "CCZero",
+ "LicenseURL": "https://creativecommons.org/publicdomain/zero/1.0/",
+ "ANID": 16293333
+ },
+ {
+ "ReferenceNumber": 153,
+ "SourceName": "Wikipedia",
+ "SourceID": "wdQ415612",
+ "Name": "Dibutyl_phthalate",
+ "Description": "Link to the compound information in Wikipedia.",
+ "URL": "https://en.wikipedia.org/wiki/Dibutyl_phthalate",
+ "ANID": 17360228
+ },
+ {
+ "ReferenceNumber": 154,
+ "SourceName": "Wikipedia",
+ "SourceID": "c_4725",
+ "Name": "Dihydralazine",
+ "Description": "Link to the chemical information in Wikipedia.",
+ "URL": "https://en.wikipedia.org/wiki/Dihydralazine",
+ "ANID": 24326261
+ },
+ {
+ "ReferenceNumber": 155,
+ "SourceName": "Wikipedia",
+ "SourceID": "c_4741",
+ "Name": "Dibutyl phthalate",
+ "Description": "Link to the chemical information in Wikipedia.",
+ "URL": "https://en.wikipedia.org/wiki/Dibutyl_phthalate",
+ "ANID": 24326277
+ },
+ {
+ "ReferenceNumber": 156,
+ "SourceName": "Wiley",
+ "SourceID": "172940",
+ "Description": "Literature references related to scientific contents from Wiley. Read more: https://onlinelibrary.wiley.com/",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=wiley&sourceid=172940",
+ "ANID": 8342263
+ },
+ {
+ "ReferenceNumber": 157,
+ "SourceName": "Medical Subject Headings (MeSH)",
+ "SourceID": "68003993",
+ "Name": "Dibutyl Phthalate",
+ "Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.",
+ "URL": "https://www.ncbi.nlm.nih.gov/mesh/68003993",
+ "LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.",
+ "LicenseURL": "https://www.nlm.nih.gov/copyright.html"
+ },
+ {
+ "ReferenceNumber": 158,
+ "SourceName": "PubChem",
+ "SourceID": "PubChem",
+ "Description": "Data deposited in or computed by PubChem",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov"
+ },
+ {
+ "ReferenceNumber": 159,
+ "SourceName": "Medical Subject Headings (MeSH)",
+ "SourceID": "DescTree",
+ "Name": "MeSH Tree",
+ "Description": "MeSH (Medical Subject Headings) is the NLM controlled vocabulary thesaurus used for indexing articles for PubMed.",
+ "URL": "http://www.nlm.nih.gov/mesh/meshhome.html",
+ "LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.",
+ "LicenseURL": "https://www.nlm.nih.gov/copyright.html"
+ },
+ {
+ "ReferenceNumber": 160,
+ "SourceName": "ChEBI",
+ "SourceID": "OBO",
+ "Name": "ChEBI Ontology",
+ "Description": "The ChEBI Ontology is a structured classification of the entities contained within ChEBI.",
+ "URL": "http://www.ebi.ac.uk/chebi/userManualForward.do#ChEBI%20Ontology"
+ },
+ {
+ "ReferenceNumber": 161,
+ "SourceName": "KEGG",
+ "SourceID": "br08006",
+ "Name": "Endocrine disrupting compounds",
+ "Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
+ "URL": "http://www.genome.jp/kegg-bin/get_htext?br08006.keg",
+ "LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
+ "LicenseURL": "https://www.kegg.jp/kegg/legal.html"
+ },
+ {
+ "ReferenceNumber": 162,
+ "SourceName": "KEGG",
+ "SourceID": "br08007",
+ "Name": "Pesticides",
+ "Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
+ "URL": "http://www.genome.jp/kegg-bin/get_htext?br08007.keg",
+ "LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
+ "LicenseURL": "https://www.kegg.jp/kegg/legal.html"
+ },
+ {
+ "ReferenceNumber": 163,
+ "SourceName": "KEGG",
+ "SourceID": "br08303",
+ "Name": "Anatomical Therapeutic Chemical (ATC) classification",
+ "Description": "KEGG is an encyclopedia of genes and genomes. Assigning functional meanings to genes and genomes both at the molecular and higher levels is the primary objective of the KEGG database project.",
+ "URL": "http://www.genome.jp/kegg-bin/get_htext?br08303.keg",
+ "LicenseNote": "Academic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial license",
+ "LicenseURL": "https://www.kegg.jp/kegg/legal.html"
+ },
+ {
+ "ReferenceNumber": 165,
+ "SourceName": "WHO Anatomical Therapeutic Chemical (ATC) Classification",
+ "SourceID": "ATCTree",
+ "Name": "ATC Code",
+ "Description": "In the World Health Organization (WHO) Anatomical Therapeutic Chemical (ATC) classification system, the active substances are divided into different groups according to the organ or system on which they act and their therapeutic, pharmacological and chemical properties.",
+ "URL": "https://www.whocc.no/atc_ddd_index/",
+ "LicenseNote": "Use of all or parts of the material requires reference to the WHO Collaborating Centre for Drug Statistics Methodology. Copying and distribution for commercial purposes is not allowed. Changing or manipulating the material is not allowed.",
+ "LicenseURL": "https://www.whocc.no/copyright_disclaimer/"
+ },
+ {
+ "ReferenceNumber": 166,
+ "SourceName": "GHS Classification (UNECE)",
+ "SourceID": "UN_GHS_tree",
+ "Name": "GHS Classification Tree",
+ "Description": "The United Nations' Globally Harmonized System of Classification and Labeling of Chemicals (GHS) provides a harmonized basis for globally uniform physical, environmental, and health and safety information on hazardous chemical substances and mixtures. It sets up criteria for the classification of chemicals for physical-chemical, health, and environmental hazards of chemical substances and mixtures and sets up standardized hazard information to facilitate global trade of chemicals. Please note that obsolete codes are added in this classification for completeness purposes, as they are still in use. Any obsolete codes are annotated as such.",
+ "URL": "http://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html"
+ },
+ {
+ "ReferenceNumber": 167,
+ "SourceName": "ChemIDplus",
+ "SourceID": "ChemIDplus_tree",
+ "Name": "ChemIDplus Chemical Information Classification",
+ "Description": "ChemIDplus is a TOXNET (TOXicology Data NETwork) databases that contain chemicals and drugs related information. It is a product of the National Library of Medicine (NLM).",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus",
+ "LicenseURL": "https://www.nlm.nih.gov/copyright.html",
+ "IsToxnet": true
+ },
+ {
+ "ReferenceNumber": 168,
+ "SourceName": "CAMEO Chemicals",
+ "SourceID": "CameoReactivityTree",
+ "Name": "CAMEO Chemical Reactivity Classification",
+ "Description": "CAMEO Chemical Reactivity Classification was created based on the reactive groups.",
+ "URL": "https://cameochemicals.noaa.gov/browse/react",
+ "LicenseNote": "CAMEO Chemicals and all other CAMEO products are available at no charge to those organizations and individuals (recipients) responsible for the safe handling of chemicals. However, some of the chemical data itself is subject to the copyright restrictions of the companies or organizations that provided the data.",
+ "LicenseURL": "https://cameochemicals.noaa.gov/help/reference/terms_and_conditions.htm?d_f=false"
+ },
+ {
+ "ReferenceNumber": 169,
+ "SourceName": "ChEMBL",
+ "SourceID": "Target Tree",
+ "Name": "ChEMBL Protein Target Tree",
+ "Description": "The ChEMBL Protein Target Tree is a structured classification of the protein target entities contained with the ChEMBL resource release version 34\u000AChEMBL.",
+ "URL": "https://www.ebi.ac.uk/chembl/g/#browse/targets",
+ "LicenseNote": "Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).",
+ "LicenseURL": "http://www.ebi.ac.uk/Information/termsofuse.html"
+ },
+ {
+ "ReferenceNumber": 170,
+ "SourceName": "IUPHAR/BPS Guide to PHARMACOLOGY",
+ "SourceID": "Target Classification",
+ "Name": "Guide to Pharmacology Target Classification",
+ "Description": "An expert-driven guide to pharmacological targets and the substances that act on them",
+ "URL": "https://www.guidetopharmacology.org/targets.jsp",
+ "LicenseNote": "The Guide to PHARMACOLOGY database is licensed under the Open Data Commons Open Database License (ODbL) https://opendatacommons.org/licenses/odbl/. Its contents are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License (http://creativecommons.org/licenses/by-sa/4.0/)",
+ "LicenseURL": "https://www.guidetopharmacology.org/about.jsp#license"
+ },
+ {
+ "ReferenceNumber": 171,
+ "SourceName": "EPA Chemical and Products Database (CPDat)",
+ "SourceID": "cpdat_tree",
+ "Name": "EPA CPDat Classification",
+ "Description": "CPDat (Chemical and Products Database) is a database containing information mapping more than 49,000 chemicals to a set of terms categorizing their usage or function in 16,000 consumer products. Ref: The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products, Scientific Data, volume 5, Article number: 180125 (2018), DOI:10.1038/sdata.2018.125",
+ "URL": "https://www.epa.gov/chemical-research/chemical-and-products-database-cpdat",
+ "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources"
+ },
+ {
+ "ReferenceNumber": 172,
+ "SourceName": "NORMAN Suspect List Exchange",
+ "SourceID": "norman_sle_tree",
+ "Name": "NORMAN Suspect List Exchange Classification",
+ "Description": "The NORMAN Suspect List Exchange (NORMAN-SLE) is a central access point for NORMAN members (and others) to find suspect lists relevant for their environmental monitoring questions.
Update: 2024-06-18 18:00:01",
+ "URL": "https://www.norman-network.com/nds/SLE/",
+ "LicenseNote": "Data: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0",
+ "LicenseURL": "https://creativecommons.org/licenses/by/4.0/"
+ },
+ {
+ "ReferenceNumber": 173,
+ "SourceName": "CCSbase",
+ "SourceID": "ccsbase_tree",
+ "Name": "CCSbase Classification",
+ "Description": "CCSbase is an integrated platform consisting of a comprehensive database of Collision Cross Section (CCS) measurements taken from a variety of sources and a high-quality and high-throughput CCS prediction model trained with this database using machine learning.",
+ "URL": "https://ccsbase.net/"
+ },
+ {
+ "ReferenceNumber": 174,
+ "SourceName": "EPA DSSTox",
+ "SourceID": "dsstoxlist_tree",
+ "Name": "CompTox Chemicals Dashboard Chemical Lists",
+ "Description": "This classification lists the chemical categories from the EPA CompTox Chemicals Dashboard.
Update: 2024-06-18 19:37:56",
+ "URL": "https://comptox.epa.gov/dashboard/chemical-lists/",
+ "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources"
+ },
+ {
+ "ReferenceNumber": 176,
+ "SourceName": "Consumer Product Information Database (CPID)",
+ "SourceID": "cpid_tree",
+ "Name": "Consumer Products Category Classification",
+ "Description": "The Consumer product category classification is based on the Consumer Product Information Database ©2001-2021 by DeLima Associates.",
+ "URL": "https://www.whatsinproducts.com/",
+ "LicenseNote": "Copyright (c) 2024 DeLima Associates. All rights reserved. \u000AUnless otherwise indicated, all materials from CPID are copyrighted by DeLima Associates. No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.",
+ "LicenseURL": "https://www.whatsinproducts.com/contents/view/1/6"
+ },
+ {
+ "ReferenceNumber": 178,
+ "SourceName": "NCI Thesaurus (NCIt)",
+ "SourceID": "NCIt",
+ "Name": "NCI Thesaurus Tree",
+ "Description": "The NCI Thesaurus (NCIt) provides reference terminology for many NCI and other systems. It covers vocabulary for clinical care, translational and basic research, and public information and administrative activities.",
+ "URL": "https://ncit.nci.nih.gov",
+ "LicenseNote": "Unless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.",
+ "LicenseURL": "https://www.cancer.gov/policies/copyright-reuse"
+ },
+ {
+ "ReferenceNumber": 179,
+ "SourceName": "LOTUS - the natural products occurrence database",
+ "SourceID": "biochem",
+ "Name": "LOTUS Tree",
+ "Description": "Biological and chemical tree provided by the LOTUS (naturaL products occurrence database)",
+ "URL": "https://lotus.naturalproducts.net/",
+ "LicenseNote": "The code for LOTUS is released under the GNU General Public License v3.0.",
+ "LicenseURL": "https://lotus.nprod.net/"
+ },
+ {
+ "ReferenceNumber": 181,
+ "SourceName": "EPA Substance Registry Services",
+ "SourceID": "epasrs_tree",
+ "Name": "EPA SRS List Classification",
+ "Description": "Substance Registry Services (SRS) is the Environmental Protection Agency's (EPA) central system for information about substances that are tracked or regulated by EPA or other sources. It is a resource for basic information about chemicals, biological organisms, and other substances of interest to EPA and its state and tribal partners. SRS makes it possible to identify which EPA data systems, environmental statutes, or other sources have information about a substance and which synonym is used by that system or statute.",
+ "URL": "https://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do",
+ "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources"
+ },
+ {
+ "ReferenceNumber": 182,
+ "SourceName": "EPA Chemicals under the TSCA",
+ "SourceID": "epa_tsca_tree",
+ "Name": "EPA TSCA and CDR Classification",
+ "Description": "EPA Chemicals under the Toxic Substances Control Act (TSCA) collection contains information on chemicals and their regulation under TSCA. The chemical classification tree is created based on the TSCA substance regulatory flag, UVCB, and commercial activity status.
Update: 2024-04-22 17:13:45",
+ "URL": "https://www.epa.gov/tsca-inventory",
+ "LicenseURL": "https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources"
+ },
+ {
+ "ReferenceNumber": 183,
+ "SourceName": "Medical Subject Headings (MeSH)",
+ "SourceID": "68010968",
+ "Name": "Plasticizers",
+ "Description": "MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.",
+ "URL": "https://www.ncbi.nlm.nih.gov/mesh/68010968",
+ "LicenseNote": "Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.",
+ "LicenseURL": "https://www.nlm.nih.gov/copyright.html"
+ },
+ {
+ "ReferenceNumber": 184,
+ "SourceName": "PATENTSCOPE (WIPO)",
+ "Name": "SID 403030027",
+ "Description": "The PATENTSCOPE database from WIPO includes patent and chemical structure search (with a free account) that gives access to millions of patent documents. The World Intellectual Property Organisation (WIPO) is a specialized United Nations (UN) agency headquartered in Geneva (Switzerland). Our mission is to lead the development of a balanced and effective international Intellectual Property (IP) system that enables innovation and creativity for the benefit of all. We help governments, businesses and society realize the benefits of Intellectual Property and are notably a world reference source for IP information.",
+ "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/403030027"
+ },
+ {
+ "ReferenceNumber": 185,
+ "SourceName": "NCBI",
+ "SourceID": "LinkOut",
+ "Description": "LinkOut is a service that allows one to link directly from NCBI databases to a wide range of information and services beyond NCBI systems.",
+ "URL": "https://www.ncbi.nlm.nih.gov/projects/linkout"
+ }
+ ]
+ }
+}
--
cgit