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Reference substances

Reference substances

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General information

Inventory

EC number:
306-165-8
EC name:
Diisoundecyl phthalate
CAS number:
96507-86-7

No inventory information available

Reference substance information

IUPAC name:
1,2-benzenedicarboxylic acid, di-isoundecyl ester
Synonyms
Names:
bis(3,5-dimethylnonyl) phthalate (Only one isomer is represented here for the sake of simplicity)
Identifier:
IUPAC name
1,2-bis(9-methyldecyl) benzene-1,2-dicarboxylate
Identifier:
other: SMILES notation
CCCC(C)CC(C)CCCOC(=O)c1ccccc1c(=O)OCCC(C)CC(C)CCCC
Identifier:
other: InChl
Not applicable

CAS information

CAS number:
96507-86-7

Molecular and structural information

Molecular formula:
C30H50O4
Molecular weight:
ca. 474.72
SMILES notation:
CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C
InChl:
InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3
Structural formula:
Chemical structure