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Reference substances

Reference substances

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General information

Inventory

EC number:
285-916-0
EC name:
Isodecyl isononyl phthalate
CAS number:
85168-75-8

No inventory information available

Reference substance information

IUPAC name:
1,2-benzenedicarboxylic acid, isodecyl, isononyl ester
Synonyms
Names:
3,5-dimethylheptyl 3,5-dimethyloctyl phthalate (Only one isomer is represented here for the sake of simplicity)
Identifier:
IUPAC name
1,2-benzenedicarboxylic acid, isodecyl isononyl ester
Identifier:
other: SMILES notation
CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C
Identifier:
other: InChl
InChI=1S/C27H44O4/c1-22(2)16-10-6-5-8-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-21-15-9-7-11-17-23(3)4/h12-13,18-19,22-23H,5-11,14-17,20-21H2,1-4H3

CAS information

CAS number:
85168-75-8

Molecular and structural information

Molecular formula:
C27H44O4
Molecular weight:
433
SMILES notation:
CCC(C)CC(C)CCCOC(=O)c1ccccc1c(=O)OCCC(C)CC(C)CC
InChl:
Not applicable
Structural formula:
Chemical structure