CHEBI:34679 - Di-n-octyl phthalate

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ChEBI Name Di-n-octyl phthalate
ChEBI ID CHEBI:34679
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H38O4
Net Charge 0
Average Mass 390.557
Monoisotopic Mass 390.27701
InChI InChI=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
InChIKey MQIUGAXCHLFZKX-UHFFFAOYSA-N
SMILES CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
Roles Classification
Application(s): 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 Di-n-octyl phthalate (CHEBI:34679) is a diester (CHEBI:51307)
Di-n-octyl phthalate (CHEBI:34679) is a phthalate ester (CHEBI:35484)
Synonyms Sources
Bis(n-octyl) phthalate KEGG COMPOUND
Di-n-octyl phthalate KEGG COMPOUND
Dioctyl 1,2-benzenedicarboxylate KEGG COMPOUND
Manual Xref Database
C14227 KEGG COMPOUND
View more database links
Registry Number Type Source
117-84-0 CAS Registry Number KEGG COMPOUND
Last Modified
12 May 2016