bis(2-ethylhexyl) phthalate (CHEBI:17747)

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ChEBI Name	bis(2-ethylhexyl) phthalate

ChEBI ID	CHEBI:17747

Definition	A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.

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

Secondary ChEBI IDs	CHEBI:3116, CHEBI:13911, CHEBI:22889

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Formula

C24H38O4

Net Charge

Average Mass

390.55612

Monoisotopic Mass

390.27701

InChI

InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3

InChIKey

BJQHLKABXJIVAM-UHFFFAOYSA-N

SMILES

CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC

Roles Classification
Biological Role(s):	apoptosis inhibitor Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms. androstane receptor agonist An agonist that selectively binds to and activates androstane receptors.

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	bis(2-ethylhexyl) phthalate (CHEBI:17747) has role androstane receptor agonist (CHEBI:77326) bis(2-ethylhexyl) phthalate (CHEBI:17747) has role apoptosis inhibitor (CHEBI:68494) bis(2-ethylhexyl) phthalate (CHEBI:17747) has role plasticiser (CHEBI:79056) bis(2-ethylhexyl) phthalate (CHEBI:17747) is a diester (CHEBI:51307) bis(2-ethylhexyl) phthalate (CHEBI:17747) is a phthalate ester (CHEBI:35484)

IUPAC Name

bis(2-ethylhexyl) benzene-1,2-dicarboxylate

Synonyms	Sources
1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester	NIST Chemistry WebBook
2-Ethylhexyl phthalate	NIST Chemistry WebBook
Bis(2-ethylhexyl) o-phthalate	NIST Chemistry WebBook
Bis(2-ethylhexyl)phthalate	KEGG COMPOUND
bis(2-ethylhexyl)phthalate	UniProt
Bis(ethylhexyl) phthalate	NIST Chemistry WebBook
DEHP	KEGG COMPOUND
DEHP	ChemIDplus
Di(2-ethylhexyl) o-phthalate	NIST Chemistry WebBook
Di(2-ethylhexyl)orthophthalate	NIST Chemistry WebBook
Di(2-ethylhexyl)phthalate	KEGG COMPOUND
Di(2-ethylhexyl)phthalate	ChemIDplus
Di(ethylhexyl) phthalate	NIST Chemistry WebBook
di-iso-Octyl phthalate	NIST Chemistry WebBook
Di-sec-octyl phthalate	ChemIDplus
Di-sec-octyl phthalate	NIST Chemistry WebBook
Diethylhexyl phthalate	ChemIDplus
Dioctyl phthalate	KEGG COMPOUND
Octyl phthalate	NIST Chemistry WebBook
Phthalic acid bis(2-ethylhexyl) ester	NIST Chemistry WebBook
Phthalic acid di(2-ethylhexyl) ester	NIST Chemistry WebBook

Last Modified

13 November 2017