1.0 2010-04-08 22:07:57 UTC 2015-07-20 22:19:21 UTC FDB008175 2-Methyl-2-pentenoic acid Flavouring ingredient (2E)-2-Methyl-2-pentenoic acid 2-Pentene-2-carboxylic acid 3-Ethyl-2-methylacrylic acid FEMA 3195 C6H10O2 114.1424 114.068079564 (2Z)-2-methylpent-2-enoic acid (2Z)-2-methylpent-2-enoic acid 3142-72-1 CC\C=C(\C)C(O)=O InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4- JJYWRQLLQAKNAD-PLNGDYQASA-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 Unsaturated fatty acids 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 Unsaturated fatty acid logp 1.44 ALOGPS logs -0.81 ALOGPS solubility 1.78e+01 g/l ALOGPS logp 1.76 ChemAxon pka_strongest_acidic 5.06 ChemAxon iupac (2Z)-2-methylpent-2-enoic acid ChemAxon average_mass 114.1424 ChemAxon mono_mass 114.068079564 ChemAxon smiles CC\C=C(\C)C(O)=O ChemAxon formula C6H10O2 ChemAxon inchi InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4- ChemAxon inchikey JJYWRQLLQAKNAD-PLNGDYQASA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 31.92 ChemAxon polarizability 12.44 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4630 Specdb::MsIr 4631 Specdb::MsIr 4632 Specdb::CMs 21668 Specdb::CMs 42530 Specdb::CMs 149090 Specdb::MsMs 314197 Specdb::MsMs 314198 Specdb::MsMs 314199 Specdb::MsMs 359899 Specdb::MsMs 359900 Specdb::MsMs 359901 Specdb::MsMs 2793485 Specdb::MsMs 2793486 Specdb::MsMs 2793487 Specdb::MsMs 2884736 Specdb::MsMs 2884737 Specdb::MsMs 2884738 Specdb::NmrOneD 111318 Specdb::NmrOneD 111319 Specdb::NmrOneD 111320 Specdb::NmrOneD 111321 Specdb::NmrOneD 111322 Specdb::NmrOneD 111323 Specdb::NmrOneD 111324 Specdb::NmrOneD 111325 Specdb::NmrOneD 111326 Specdb::NmrOneD 111327 Specdb::NmrOneD 111328 Specdb::NmrOneD 111329 Specdb::NmrOneD 111330 Specdb::NmrOneD 111331 Specdb::NmrOneD 111332 Specdb::NmrOneD 111333 Specdb::NmrOneD 111334 Specdb::NmrOneD 111335 Specdb::NmrOneD 111336 Specdb::NmrOneD 111337 HMDB31560 #<Reference:0x000055ce30681b50> acid dry fruity jam strawberry sweaty woody