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CHEBI:34712 - Diisopropyl phthalate

ChEBI IDCHEBI:34712
ChEBI NameDiisopropyl phthalate
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESCC(C)OC(=O)c1ccccc1C(=O)OC(C)C
InChIInChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
InChIKeyQWDBCIAVABMJPP-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Diisopropyl phthalate (CHEBI:34712) is a diester (CHEBI:51307)
Diisopropyl phthalate (CHEBI:34712) is a isopropyl ester (CHEBI:35725)
Diisopropyl phthalate (CHEBI:34712) is a phthalate ester (CHEBI:35484)
Synonym  Source
Diisopropyl phthalateKEGG COMPOUND
Manual XrefsDatabases
C14468KEGG COMPOUND
Registry NumbersSources
CAS:605-45-8KEGG COMPOUND