1.0 2010-04-08 22:10:42 UTC 2018-05-28 19:18:23 UTC FDB013423 (±)-4-Methylnonanoic acid Found in cooked meats; flavouring ingredient 4-Methylnonan-1-oic acid 4-methylnonanoic Acid 4-Methylpelargonic acid FEMA 3574 Nonanoic acid, 4-methyl- C10H20O2 172.2646 172.146329884 4-methylnonanoic acid 4-methylnonanoic acid 45019-28-1 CCCCCC(C)CCC(O)=O InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) WQTZCQIRCYSUBQ-UHFFFAOYSA-N 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 oxides 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 oxide Organic oxygen compound Organooxygen compound logp 3.63 ALOGPS logs -3.19 ALOGPS solubility 1.11e-01 g/l ALOGPS logp 3.43 ChemAxon pka_strongest_acidic 5.26 ChemAxon iupac 4-methylnonanoic acid ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CCCCCC(C)CCC(O)=O ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) ChemAxon inchikey WQTZCQIRCYSUBQ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 49.43 ChemAxon polarizability 21.2 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17089 Specdb::CMs 44059 Specdb::CMs 164221 Specdb::MsIr 6699 Specdb::MsIr 6700 Specdb::MsIr 6701 Specdb::MsMs 71256 Specdb::MsMs 71257 Specdb::MsMs 71258 Specdb::MsMs 129894 Specdb::MsMs 129895 Specdb::MsMs 129896 Specdb::MsMs 2334679 Specdb::MsMs 2334680 Specdb::MsMs 2334681 Specdb::MsMs 2628071 Specdb::MsMs 2628072 Specdb::MsMs 2628073 HMDB34849 #<Reference:0x000055ce32910a18>