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CHEBI:235320 - diisopentyl phthalate

ChEBI IDCHEBI:235320
ChEBI Namediisopentyl phthalate
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC18H26O4
Net Charge0
Average Mass306.402
Monoisotopic Mass306.18311
SMILESCC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)C
InChIInChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyJANBFCARANRIKJ-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
diisopentyl phthalate (CHEBI:235320) is a phthalate ester (CHEBI:35484)
IUPAC Name 
bis(3-methylbutyl) benzene-1,2-dicarboxylate
Registry NumbersSources
CAS:605-50-5SUBMITTER
Citations