CHEBI:34712 - Diisopropyl phthalate

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ChEBI Name Diisopropyl phthalate
ChEBI ID CHEBI:34712
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H18O4
Net Charge 0
Average Mass 250.291
Monoisotopic Mass 250.12051
InChI InChI=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
InChIKey QWDBCIAVABMJPP-UHFFFAOYSA-N
SMILES CC(C)OC(=O)c1ccccc1C(=O)OC(C)C
Roles Classification
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via phthalate ester )
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ChEBI Ontology
Outgoing 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 phthalate KEGG COMPOUND
Manual Xref Database
C14468 KEGG COMPOUND
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Registry Number Type Source
605-45-8 CAS Registry Number KEGG COMPOUND
Last Modified
09 March 2018