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Structure

Propanoic acid,2-methyl-,octyl ester

CAS
109-15-9
Catalog Number
ACM109159
Category
Other Products
Molecular Weight
200.3178
Molecular Formula
C12H24O2

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Specification

Synonyms
Octyl isobutyrate, Caprylyl isobutyrate, n-Octyl isobutyrate, Isobutyric acid, octyl ester, Octyl 2-methylpropanoate, Acetyl 2-methylpropanoate, FEMA No. 2808, W280801_ALDRICH, ENT 24265, EINECS 203-651-0, NSC 72024, PROPANOIC ACID, 2-METHYL-, OCTYL ESTER, CID61024, NSC72024, Propanoic acid, 2-methyl-, acetyl ester, AI3-24265, LS-3011, Isobutyric acid, octyl ester (6CI,7CI,8CI), 109-15-9
IUPAC Name
octyl 2-methylpropanoate
Canonical SMILES
CCCCCCCCOC(=O)C(C)C
InChI Key
PQCYCHFQWMNQRJ-UHFFFAOYSA-N
Boiling Point
231.9ºC at 760 mmHg
Flash Point
94ºC
Density
0.869 g/cm³
Appearance
colorless to pale yellow clear liquid
EC Number
203-651-0
Exact Mass
200.17800
H-Bond Acceptor
2
H-Bond Donor
0
WGK Germany
2
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