1.0 2010-04-08 22:08:48 UTC 2018-05-28 23:25:41 UTC FDB009807 (+/-)-Methyl 5-acetoxyhexanoate It is used as a food additive . Methyl hexanoate, 5-acetoxy methyl-5-acetoxyhexanoate C9H16O4 188.2209 188.104859 methyl 5-(acetyloxy)hexanoate methyl 5-(acetyloxy)hexanoate 35234-22-1 COC(=O)CCCC(C)OC(C)=O InChI=1S/C9H16O4/c1-7(13-8(2)10)5-4-6-9(11)12-3/h7H,4-6H2,1-3H3 XZGQJRXRXRYNRI-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Fatty acid methyl esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Dicarboxylic acids and derivatives Hydrocarbon derivatives Methyl esters Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid methyl ester Hydrocarbon derivative Methyl ester Organic oxide Organic oxygen compound Organooxygen compound logp 1.58 ALOGPS logs -1.65 ALOGPS solubility 4.18e+00 g/l ALOGPS logp 0.93 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac methyl 5-(acetyloxy)hexanoate ChemAxon average_mass 188.2209 ChemAxon mono_mass 188.104859 ChemAxon smiles COC(=O)CCCC(C)OC(C)=O ChemAxon formula C9H16O4 ChemAxon inchi InChI=1S/C9H16O4/c1-7(13-8(2)10)5-4-6-9(11)12-3/h7H,4-6H2,1-3H3 ChemAxon inchikey XZGQJRXRXRYNRI-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 46.74 ChemAxon polarizability 20.19 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5350 Specdb::MsIr 5351 Specdb::CMs 10103 Specdb::CMs 167682 Specdb::MsMs 65973 Specdb::MsMs 65974 Specdb::MsMs 65975 Specdb::MsMs 123429 Specdb::MsMs 123430 Specdb::MsMs 123431 Specdb::MsMs 2438473 Specdb::MsMs 2438474 Specdb::MsMs 2438475 Specdb::MsMs 2523336 Specdb::MsMs 2523337 Specdb::MsMs 2523338 Specdb::NmrOneD 113158 Specdb::NmrOneD 113159 Specdb::NmrOneD 113160 Specdb::NmrOneD 113161 Specdb::NmrOneD 113162 Specdb::NmrOneD 113163 Specdb::NmrOneD 113164 Specdb::NmrOneD 113165 Specdb::NmrOneD 113166 Specdb::NmrOneD 113167 Specdb::NmrOneD 113168 Specdb::NmrOneD 113169 Specdb::NmrOneD 113170 Specdb::NmrOneD 113171 Specdb::NmrOneD 113172 Specdb::NmrOneD 113173 Specdb::NmrOneD 113174 Specdb::NmrOneD 113175 Specdb::NmrOneD 113176 Specdb::NmrOneD 113177 HMDB32387 #<Reference:0x000055ce305da4e0> fruity