1.0 2010-04-08 22:11:38 UTC 2015-07-20 23:14:47 UTC FDB015089 Methyl DL-Leucate Flavouring ingredient (±)-2-Hydroxy-4-methylpentanoic acid methyl ester DL-Leucic acid methyl ester FEMA 3706 Methyl (±)-2-Hydroxy-4-methylpentanoate Methyl 2-hydroxy-4-methylpentanoate Methyl 2-hydroxy-4-methylvalerate Methyl 2-hydroxyisocaproate Methyl DL-Leucate Pentanoic acid, 2-hydroxy-4-methyl-, methyl ester Valeric acid, 2-hydroxy-4-methyl-, methyl ester C7H14O3 146.1843 146.094294314 methyl 2-hydroxy-4-methylpentanoate methyl 2-hydroxy-4-methylpentanoate 40348-72-9 COC(=O)C(O)CC(C)C InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3 JOSNYUDSMPILKL-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 Secondary alcohols Alcohol 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 Secondary alcohol logp 0.77 ALOGPS logs -0.39 ALOGPS solubility 5.98e+01 g/l ALOGPS logp 0.93 ChemAxon pka_strongest_acidic 12.7 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac methyl 2-hydroxy-4-methylpentanoate ChemAxon average_mass 146.1843 ChemAxon mono_mass 146.094294314 ChemAxon smiles COC(=O)C(O)CC(C)C ChemAxon formula C7H14O3 ChemAxon inchi InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3 ChemAxon inchikey JOSNYUDSMPILKL-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 37.28 ChemAxon polarizability 15.95 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24459 Specdb::CMs 44777 Specdb::CMs 133130 Specdb::CMs 140864 Specdb::MsMs 85248 Specdb::MsMs 85249 Specdb::MsMs 85250 Specdb::MsMs 147318 Specdb::MsMs 147319 Specdb::MsMs 147320 Specdb::MsMs 2345141 Specdb::MsMs 2345142 Specdb::MsMs 2345143 Specdb::MsMs 2590090 Specdb::MsMs 2590091 Specdb::MsMs 2590092 Specdb::MsIr 7224 Specdb::MsIr 7225 Specdb::MsIr 7226 Specdb::NmrOneD 134418 Specdb::NmrOneD 134419 Specdb::NmrOneD 134420 Specdb::NmrOneD 134421 Specdb::NmrOneD 134422 Specdb::NmrOneD 134423 Specdb::NmrOneD 134424 Specdb::NmrOneD 134425 Specdb::NmrOneD 134426 Specdb::NmrOneD 134427 Specdb::NmrOneD 134428 Specdb::NmrOneD 134429 Specdb::NmrOneD 134430 Specdb::NmrOneD 134431 Specdb::NmrOneD 134432 Specdb::NmrOneD 134433 Specdb::NmrOneD 134434 Specdb::NmrOneD 134435 Specdb::NmrOneD 134436 Specdb::NmrOneD 134437 HMDB36231 #<Reference:0x000055ce31e2b080> fruity musty sweet