1.0 2010-04-08 22:09:52 UTC 2019-11-26 03:05:38 UTC FDB011874 Methyl (S)-2-Methylbutanoate Flavour component of apple and strawberry. Methyl (S)-2-Methylbutanoate is found in pomes and fruits. Methyl (S)-2-Methylbutanoate C6H12O2 116.1583 116.083729628 methyl (2S)-2-methylbutanoate methyl (2S)-2-methylbutanoate 53955-81-0 CCC(C)C(=O)OC InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3 OCWLYWIFNDCWRZ-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 1.61 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac methyl (2S)-2-methylbutanoate ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCC(C)C(=O)OC ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3 ChemAxon inchikey OCWLYWIFNDCWRZ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 31.22 ChemAxon polarizability 13.05 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB29762 #<Reference:0x000055ce327e7380> Asian pear Type 1 specific Pyrus pyrifolia 3767 Fruits Unknown generic Pomes Unknown generic