Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
1,2-benzenedicarboxylic acid, di-isodecyl ester

Inventory

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

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

Related substances