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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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-methyl-1-phenylethyl 2-ethyl-2,5-dimethylhexaneperoxoate

Inventory

EC number:
247-956-7
EC name:
1-methyl-1-phenylethyl peroxyneodecanoate
CAS number:
26748-47-0
CAS number:
26748-47-0
Synonyms
Names:
Neodecaneperoxoic acid, 1-methyl-1-phenylethyl ester
Identifier:
IUPAC name
1-methyl-1-phenylethyl 2-ethyl-2,5-dimethylhexaneperoxoate
Identifier:
IUPAC name
Reaction products of neodecanoic acid (or neodecanoyl chloride derived from neodecanoic acid) and cumyl hydroperoxide
Identifier:
other: SMILES notation
CC(C)(C)CCCCCC(=O)OOC(C)(C)c1ccccc1
Identifier:
other: InChl
InChI=1/C19H30O3/c1-18(2,3)15-11-7-10-14-17(20)21-22-19(4,5)16-12-8-6-9-13-16/h6,8-9,12-13H,7,10-11,14-15H2,1-5H3

Molecular and structural information

Molecular formula:
C19H30O3
Molecular weight:
306.44
SMILES notation:
CCC(C)(CCC(C)C)C(=O)OOC(C)(C)c1ccccc1
InChl:
InChI=1/C19H30O3/c1-7-19(6,14-13-15(2)3)17(20)21-22-18(4,5)16-11-9-8-10-12-16/h8-12,15H,7,13-14H2,1-6H3
Structural formula:
Chemical structure

Related substances