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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
benzyl 2-methylpropanoate

Inventory

EC number:
203-095-9
EC name:
Benzyl isobutyrate
CAS number:
103-28-6
CAS number:
103-28-6
Synonyms
Names:
Isobutyric acid, benzyl ester
Propanoic acid, 2-methyl-, phenylmethyl ester
Identifier:
IUPAC name
Benzyl isobutyrate
Identifier:
other: InChl
1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
Identifier:
other: SMILES notation
c1(COC(C(C)C)=O)ccccc1
benzyl 2-methylpropanoate

Molecular and structural information

Molecular formula:
C11H14O2
Molecular weight:
178.228
SMILES notation:
CC(C)C(=O)OCc1ccccc1
InChl:
InChI=1/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
Structural formula:
Chemical structure

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