1.0 2010-04-08 22:08:33 UTC 2018-05-28 23:23:18 UTC FDB009394 (+/-)-Ethyl 2-hydroxy-3-methylvalerate It is used as a food additive . C8H16O3 160.2108 160.109944378 ethyl 2-hydroxy-3-methylpentanoate ethyl 2-hydroxy-3-methylpentanoate 24323-38-4 CCOC(=O)C(O)C(C)CC InChI=1S/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3 TXLBCYISDOYPIH-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 Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 1.50 ALOGPS logs -0.79 ALOGPS solubility 2.60e+01 g/l ALOGPS logp 1.36 ChemAxon pka_strongest_acidic 12.48 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac ethyl 2-hydroxy-3-methylpentanoate ChemAxon average_mass 160.2108 ChemAxon mono_mass 160.109944378 ChemAxon smiles CCOC(=O)C(O)C(C)CC ChemAxon formula C8H16O3 ChemAxon inchi InChI=1S/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3 ChemAxon inchikey TXLBCYISDOYPIH-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 41.95 ChemAxon polarizability 17.78 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20146 Specdb::CMs 42798 Specdb::CMs 156680 Specdb::NmrOneD 112538 Specdb::NmrOneD 112539 Specdb::NmrOneD 112540 Specdb::NmrOneD 112541 Specdb::NmrOneD 112542 Specdb::NmrOneD 112543 Specdb::NmrOneD 112544 Specdb::NmrOneD 112545 Specdb::NmrOneD 112546 Specdb::NmrOneD 112547 Specdb::NmrOneD 112548 Specdb::NmrOneD 112549 Specdb::NmrOneD 112550 Specdb::NmrOneD 112551 Specdb::NmrOneD 112552 Specdb::NmrOneD 112553 Specdb::NmrOneD 112554 Specdb::NmrOneD 112555 Specdb::NmrOneD 112556 Specdb::NmrOneD 112557 Specdb::MsMs 74052 Specdb::MsMs 74053 Specdb::MsMs 74054 Specdb::MsMs 133344 Specdb::MsMs 133345 Specdb::MsMs 133346 Specdb::MsMs 2456007 Specdb::MsMs 2456008 Specdb::MsMs 2456009 Specdb::MsMs 2478850 Specdb::MsMs 2478851 Specdb::MsMs 2478852 HMDB32270 #<Reference:0x000055ce32a67470> berry fruity