dibutyl phthalate (CHEBI:34687)

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ChEBI Name	dibutyl phthalate

ChEBI ID	CHEBI:34687

Definition	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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:535597

Supplier Information	ChemicalBook:CB7325193, eMolecules:475286, ZINC000008214691

Download	Molfile XML SDF

Wikipedia	License
Tetrachloroethylene, also known as perchloroethylene or under the systematic name tetrachloroethene, and abbreviations such as perc (or PERC), and PCE, is a chlorocarbon with the formula Cl2C=CCl2. It is a non-flammable, stable, colorless and heavy liquid widely used for dry cleaning of fabrics. It also has its uses as an effective automotive brake cleaner. It has a mildly sweet, sharp odor, detectable by most people at a concentration of 50 ppm. Tetrachloroethylene is regarded as a toxic substance, a human health hazard, and an environmental hazard. In 2020, the United States Environmental Protection Agency stated that "tetrachloroethylene exposure may harm the nervous system, liver, kidneys, and reproductive system, and may be harmful to unborn children", and reported that numerous toxicology agencies regard it as a carcinogen.
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Formula

C16H22O4

Net Charge

Average Mass

278.34350

Monoisotopic Mass

278.15181

InChI

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

InChIKey

DOIRQSBPFJWKBE-UHFFFAOYSA-N

SMILES

CCCCOC(=O)c1ccccc1C(=O)OCCCC

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	teratogenic agent A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. EC 3.2.1.20 (alpha-glucosidase) inhibitor An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of alpha-glucosidase (EC 3.2.1.20).

Application(s):	plasticiser Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers. endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system (via phthalate ester )

ChEBI Ontology
Outgoing	dibutyl phthalate (CHEBI:34687) has functional parent butan-1-ol (CHEBI:28885) dibutyl phthalate (CHEBI:34687) has role EC 3.2.1.20 (α-glucosidase) inhibitor (CHEBI:67239) dibutyl phthalate (CHEBI:34687) has role environmental contaminant (CHEBI:78298) dibutyl phthalate (CHEBI:34687) has role metabolite (CHEBI:25212) dibutyl phthalate (CHEBI:34687) has role plasticiser (CHEBI:79056) dibutyl phthalate (CHEBI:34687) has role teratogenic agent (CHEBI:50905) dibutyl phthalate (CHEBI:34687) is a diester (CHEBI:51307) dibutyl phthalate (CHEBI:34687) is a phthalate ester (CHEBI:35484)

IUPAC Name

dibutyl benzene-1,2-dicarboxylate

Synonyms	Sources
1,2-Benzenedicarboxylic acid dibutyl ester	ChemIDplus
Benzene-o-dicarboxylic acid di-n-butyl ester	NIST Chemistry WebBook
Benzene-o-dicarboxylic acid di-n-butyl ester	ChemIDplus
Benzenedicarboxylic acid dibutyl ester	NIST Chemistry WebBook
Butyl phthalate	ChemIDplus
DBP	ChEBI
Di-n-butyl phthalate	KEGG COMPOUND
Dibutyl 1,2-benzenedicarboxylate	KEGG COMPOUND
Dibutyl o-phthalate	NIST Chemistry WebBook
Dibutyl phthalate	KEGG COMPOUND
Dibutyl-o-phthalate	ChemIDplus
n-Butyl phthalate	ChemIDplus
o-Benzenedicarboxylic acid dibutyl ester	NIST Chemistry WebBook
o-Benzenedicarboxylic acid dibutyl ester	ChemIDplus
Phthalic acid di-n-butyl ester	NIST Chemistry WebBook
Phthalic acid dibutyl ester	NIST Chemistry WebBook

Last Modified

24 August 2017