1.0 2010-04-08 22:08:38 UTC 2025-11-18 23:16:36 UTC FDB009553 Hept-2-en-1-yl isovalerate It is used as a food additive . C12H21O2 197.299 197.154703496 2-(propan-2-yl)non-4-enoate 2-isopropylnon-4-enoate 253596-70-2 CCCCC=CCC(C(C)C)C([O-])=O InChI=1S/C12H22O2/c1-4-5-6-7-8-9-11(10(2)3)12(13)14/h7-8,10-11H,4-6,9H2,1-3H3,(H,13,14)/p-1 ZCECLCUTNXLMPZ-UHFFFAOYSA-M belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic anions Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic anion Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid logp 4.64 ALOGPS logs -4.15 ALOGPS solubility 1.51e-02 g/l ALOGPS logp 4.06 ChemAxon pka_strongest_acidic 5.19 ChemAxon iupac 2-(propan-2-yl)non-4-enoate ChemAxon average_mass 197.299 ChemAxon mono_mass 197.154703496 ChemAxon smiles CCCCC=CCC(C(C)C)C([O-])=O ChemAxon formula C12H21O2 ChemAxon inchi InChI=1S/C12H22O2/c1-4-5-6-7-8-9-11(10(2)3)12(13)14/h7-8,10-11H,4-6,9H2,1-3H3,(H,13,14)/p-1 ChemAxon inchikey ZCECLCUTNXLMPZ-UHFFFAOYSA-M ChemAxon polar_surface_area 40.13 ChemAxon refractivity 70.55 ChemAxon polarizability 23.81 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::MsMs 102162 Specdb::MsMs 102163 Specdb::MsMs 102164 Specdb::MsMs 167913 Specdb::MsMs 167914 Specdb::MsMs 167915 green sweet