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CHEBI:17747 - bis(2-ethylhexyl) phthalate

ChEBI IDCHEBI:17747
ChEBI Namebis(2-ethylhexyl) phthalate
Stars
DefinitionA phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.
Secondary ChEBI IDsCHEBI:3116, CHEBI:13911, CHEBI:22889
Last Modified13 November 2017
DownloadsMolfile
FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILESCCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
InChIInChI=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
InChIKeyBJQHLKABXJIVAM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
androstane receptor agonist  An agonist that selectively binds to and activates androstane receptors.
apoptosis inhibitor  Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
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
ChEBI Ontology
Outgoing Relation(s)
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  Source
Bis(2-ethylhexyl)phthalateKEGG COMPOUND
Dioctyl phthalateKEGG COMPOUND
Diethylhexyl phthalateChemIDplus
Di(2-ethylhexyl)phthalateChemIDplus
DEHPChemIDplus
Di-sec-octyl phthalateChemIDplus
UniProt Name  Source
bis(2-ethylhexyl)phthalateUniProt
Manual XrefsDatabases
C03690KEGG COMPOUND
BIS2-ETHYLHEXYLPHTHALATEMetaCyc
Bis(2-ethylhexyl)_phthalateWikipedia
Registry NumbersSources
Reaxys:1890696Reaxys
CAS:117-81-7KEGG COMPOUND
CAS:117-81-7ChemIDplus
CAS:117-81-7NIST Chemistry WebBook
Citations