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CHEBI:34676 - Di-n-decyl phthalate

ChEBI IDCHEBI:34676
ChEBI NameDi-n-decyl phthalate
Stars
Last Modified12 May 2016
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC
InChIInChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
InChIKeyPGIBJVOPLXHHGS-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-decyl phthalate (CHEBI:34676) is a diester (CHEBI:51307)
Di-n-decyl phthalate (CHEBI:34676) is a phthalate ester (CHEBI:35484)
Synonyms  Source
Di-n-decyl phthalateKEGG COMPOUND
Didecyl phthalateKEGG COMPOUND
Didecyl 1,2-BenzenedicarboxylateKEGG COMPOUND
Manual XrefsDatabases
C14505KEGG COMPOUND
Registry NumbersSources
CAS:84-77-5KEGG COMPOUND