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CHEBI:35459 - diisononyl phthalate

ChEBI IDCHEBI:35459
ChEBI Namediisononyl phthalate
Stars
DefinitionThe diisononyl ester of benzene-1,2-dicarboxylic acid.
Last Modified3 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H42O4
Net Charge0
Average Mass418.618
Monoisotopic Mass418.30831
SMILESCC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
InChIInChI=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
InChIKeyHBGGXOJOCNVPFY-UHFFFAOYSA-N
Roles Classification
Applications:
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
ChEBI Ontology
Outgoing Relation(s)
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  Source
Enj 2065ChemIDplus
1,2-Benzenedicarboxylic acid, diisononyl esterChemIDplus
Phthalic acid, diisononyl esterChemIDplus
Diisononyl phthalateKEGG COMPOUND
Manual XrefsDatabases
C15221KEGG COMPOUND
Registry NumbersSources
CAS:28553-12-0ChemIDplus
CAS:28553-12-0KEGG COMPOUND