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Reference substances

Reference substances

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General information

Inventory

EC number:
249-079-5
EC name:
Di-''isononyl'' phthalate
CAS number:
28553-12-0

No inventory information available

Reference substance information

IUPAC name:
1,2-benzenedicarboxylic acid, di-isononyl ester
Synonyms
Names:
1,2-Benzenedicarboxylic acid, diisononyl ester
bis(3,5-dimethylheptyl) phthalate (Only one isomer is represented here for the sake of simplicity)
Identifier:
IUPAC name
bis(7-methyloctyl) phthalate
Identifier:
other: SMILES notation
CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
Identifier:
other: InChl
InChI=1/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

CAS information

CAS number:
28553-12-0

Molecular and structural information

Molecular formula:
C26H42O4
Molecular weight:
ca. 418.61
SMILES notation:
CC(C)CC(C)CCCOC(=O)c1ccccc1c(=O)OCCC(C)CC(C)CC
InChl:
Not applicable
Structural formula:
Chemical structure