1.0 2010-04-08 22:07:58 UTC 2025-11-18 23:07:46 UTC FDB008203 2-Methylpentanoic acid 2-Methylpentanoic acid is a member of the class of compounds known as methyl-branched fatty acids. Methyl-branched fatty acids are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Thus, 2-methyl valeric acid is considered to be a fatty acid lipid molecule. 2-methyl valeric acid is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-Methylpentanoic acid is a cheese and sour tasting compound found in pepper (spice), which makes 2-methylpentanoic acid a potential biomarker for the consumption of this food product. Methyl pentanoate, commonly known as methyl valerate, is the methyl ester of pentanoic acid (valeric acid) with a fruity odor . 2-Methylpentanoic acid 2-Methylvaleric acid 2-Pentanecarboxylic acid alpha-Methylvaleric acid FEMA 2754 Methylpropylacetic acid Pentanoic acid, 2-methyl- Valeric acid, 2-methyl- C6H12O2 116.1583 116.083729628 2-methylpentanoic acid pentanoic acid, 2-methyl- 97-61-0 CCCC(C)C(O)=O InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) OVBFMEVBMNZIBR-UHFFFAOYSA-N belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Methyl-branched fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Branched fatty acids logp 1.79 ALOGPS logs -0.87 ALOGPS solubility 1.55e+01 g/l ALOGPS logp 1.91 ChemAxon pka_strongest_acidic 5.05 ChemAxon iupac 2-methylpentanoic acid ChemAxon average_mass 116.1583 ChemAxon mono_mass 116.083729628 ChemAxon smiles CCCC(C)C(O)=O ChemAxon formula C6H12O2 ChemAxon inchi InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) ChemAxon inchikey OVBFMEVBMNZIBR-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 31.05 ChemAxon polarizability 12.85 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24536 Specdb::CMs 29461 Specdb::CMs 42535 Specdb::CMs 100874 Specdb::CMs 164083 Specdb::MsIr 4671 Specdb::MsIr 4672 Specdb::MsIr 4673 Specdb::NmrOneD 19302 Specdb::NmrOneD 19303 Specdb::NmrOneD 19304 Specdb::NmrOneD 19305 Specdb::NmrOneD 19306 Specdb::NmrOneD 19307 Specdb::NmrOneD 19308 Specdb::NmrOneD 19309 Specdb::NmrOneD 19310 Specdb::NmrOneD 19311 Specdb::NmrOneD 19312 Specdb::NmrOneD 19313 Specdb::NmrOneD 19314 Specdb::NmrOneD 19315 Specdb::NmrOneD 19316 Specdb::NmrOneD 19317 Specdb::NmrOneD 19318 Specdb::NmrOneD 19319 Specdb::NmrOneD 19320 Specdb::NmrOneD 19321 Specdb::MsMs 91449 Specdb::MsMs 91450 Specdb::MsMs 91451 Specdb::MsMs 154833 Specdb::MsMs 154834 Specdb::MsMs 154835 Specdb::MsMs 2401034 Specdb::MsMs 2401035 Specdb::MsMs 2401036 Specdb::MsMs 2538206 Specdb::MsMs 2538207 Specdb::MsMs 2538208 HMDB0031580 Pepper (Spice) Type 1 specific Piper nigrum 13216 cheese sour