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CHEBI:34679 - Di-n-octyl phthalate

ChEBI IDCHEBI:34679
ChEBI NameDi-n-octyl phthalate
Stars
Last Modified12 May 2016
DownloadsMolfile
FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILESCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
InChIInChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChIKeyMQIUGAXCHLFZKX-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Di-n-octyl phthalate (CHEBI:34679) is a diester (CHEBI:51307)
Di-n-octyl phthalate (CHEBI:34679) is a phthalate ester (CHEBI:35484)
Synonyms  Source
Di-n-octyl phthalateKEGG COMPOUND
Bis(n-octyl) phthalateKEGG COMPOUND
Dioctyl 1,2-benzenedicarboxylateKEGG COMPOUND
Manual XrefsDatabases
C14227KEGG COMPOUND
Registry NumbersSources
CAS:117-84-0KEGG COMPOUND