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Reference substances

Reference substances

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General information

Inventory

EC number:
247-956-7
EC name:
1-methyl-1-phenylethyl peroxyneodecanoate
CAS number:
26748-47-0

No inventory information available

Reference substance information

Synonyms
Names:
Neodecaneperoxoic acid, 1-methyl-1-phenylethyl ester
Identifier:
CAS number
26748-47-0
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
1-methyl-1-phenylethyl 2-ethyl-2,5-dimethylhexaneperoxoate

CAS information

CAS number:
26748-47-0

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