Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
247-977-1
EC name:
Di-''isodecyl'' phthalate
CAS number:
26761-40-0

No inventory information available

Reference substance information

IUPAC name:
1,2-benzenedicarboxylic acid, di-isodecyl ester
Synonyms
Names:
1,2-Benzenedicarboxylic acid, diisodecyl ester
bis(3,5-dimethyloctyl) phthalate (Only one isomer is represented here for the sake of simplicity)
Identifier:
IUPAC name
bis(7,7-dimethyloctyl) phthalate
Identifier:
other: SMILES notation
CC(C)(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)(C)C
Identifier:
other: InChl
InChI=1/C28H46O4/c1-27(2,3)19-13-7-9-15-21-31-25(29)23-17-11-12-18-24(23)26(30)32-22-16-10-8-14-20-28(4,5)6/h11-12,17-18H,7-10,13-16,19-22H2,1-6H3
Identifier:
other: SMILES notation
O=C(OCCCCCCC(C)C)C1=CC=CC=C1C(OCCCCCCC(C)C)=O

CAS information

CAS number:
26761-40-0

Molecular and structural information

Molecular formula:
C28H46O4
Molecular weight:
447
SMILES notation:
CCC(C)CC(C)CCCOC(=O)c1ccccc1c(=O)OCCC(C)CC(C)CCC
InChl:
Not applicable
Structural formula:
Chemical structure