CHEBI:35459 - diisononyl phthalate

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ChEBI Name diisononyl phthalate
ChEBI ID CHEBI:35459
Definition The diisononyl ester of benzene-1,2-dicarboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H42O4
Net Charge 0
Average Mass 418.60928
Monoisotopic Mass 418.308
InChI InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
InChIKey HBGGXOJOCNVPFY-UHFFFAOYSA-N
SMILES CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
Roles Classification
Application(s): plasticiser
Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers.
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 diisononyl phthalate (CHEBI:35459) has role plasticiser (CHEBI:79056)
diisononyl phthalate (CHEBI:35459) is a diester (CHEBI:51307)
diisononyl phthalate (CHEBI:35459) is a phthalate ester (CHEBI:35484)
IUPAC Name
bis(7-methyloctyl) benzene-1,2-dicarboxylate
Synonyms Sources
1,2-Benzenedicarboxylic acid, diisononyl ester ChemIDplus
Diisononyl phthalate KEGG COMPOUND
Enj 2065 ChemIDplus
Phthalic acid, diisononyl ester ChemIDplus
Manual Xref Database
C15221 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
28553-12-0 CAS Registry Number KEGG COMPOUND
28553-12-0 CAS Registry Number ChemIDplus
Last Modified
03 July 2014