CHEBI:17747 - bis(2-ethylhexyl) phthalate

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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
Supplier Information eMolecules:10690764, ZINC000100015192
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Formula C24H38O4
Net Charge 0
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 )
View more via ChEBI Ontology
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
Manual Xrefs Databases
Bis(2-ethylhexyl)_phthalate Wikipedia
BIS2-ETHYLHEXYLPHTHALATE MetaCyc
C03690 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
117-81-7 CAS Registry Number KEGG COMPOUND
117-81-7 CAS Registry Number NIST Chemistry WebBook
117-81-7 CAS Registry Number ChemIDplus
1890696 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12963402 PubMed citation Europe PMC
16874505 PubMed citation Europe PMC
17286146 PubMed citation Europe PMC
19211671 PubMed citation Europe PMC
19840837 PubMed citation Europe PMC
28199414 PubMed citation Europe PMC
28763719 PubMed citation Europe PMC
Last Modified
13 November 2017