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Reference substances

Reference substances

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IUPAC name:
1,2-benzenedicarboxylic acid, di-isononyl ester

Inventory

EC number:
249-079-5
EC name:
Di-''isononyl'' phthalate
CAS number:
28553-12-0
CAS number:
28553-12-0
Synonyms
Names:
bis(3,5-dimethylheptyl) phthalate (Only one isomer is represented here for the sake of simplicity)
Identifier:
IUPAC name
1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester
Identifier:
other: InChl
InChI=1/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3
Identifier:
other: SMILES notation
O=C(OCCC(C)CC(C)(C)C)c1ccccc1C(=O)OCCC(C)CC(C)(C)C

Molecular and structural information

Molecular formula:
C26H42O4
Molecular weight:
ca. 419
SMILES notation:
CC(C)CC(C)CCCOC(=O)c1ccccc1c(=O)OCCC(C)CC(C)CC
InChl:
Not applicable
Structural formula:
Chemical structure

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