1.02010-04-08 22:08:48 UTC2018-05-28 23:25:41 UTCFDB009807(+/-)-Methyl 5-acetoxyhexanoateIt is used as a food additive .Methyl hexanoate, 5-acetoxymethyl-5-acetoxyhexanoateC9H16O4188.2209188.104859methyl 5-(acetyloxy)hexanoatemethyl 5-(acetyloxy)hexanoate35234-22-1COC(=O)CCCC(C)OC(C)=OInChI=1S/C9H16O4/c1-7(13-8(2)10)5-4-6-9(11)12-3/h7H,4-6H2,1-3H3XZGQJRXRXRYNRI-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 estersOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acid estersAliphatic acyclic compoundsCarbonyl compoundsDicarboxylic acids and derivativesHydrocarbon derivativesMethyl estersOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDicarboxylic acid or derivativesFatty acid methyl esterHydrocarbon derivativeMethyl esterOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp1.58logs-1.65solubility4.18e+00 g/llogp0.93pka_strongest_basic-6.7iupacmethyl 5-(acetyloxy)hexanoateaverage_mass188.2209mono_mass188.104859smilesCOC(=O)CCCC(C)OC(C)=OformulaC9H16O4inchiInChI=1S/C9H16O4/c1-7(13-8(2)10)5-4-6-9(11)12-3/h7H,4-6H2,1-3H3inchikeyXZGQJRXRXRYNRI-UHFFFAOYSA-Npolar_surface_area52.6refractivity46.74polarizability20.19rotatable_bond_count7acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::MsIr5350Specdb::MsIr5351Specdb::CMs10103Specdb::CMs167682Specdb::NmrOneD113158Specdb::NmrOneD113159Specdb::NmrOneD113160Specdb::NmrOneD113161Specdb::NmrOneD113162Specdb::NmrOneD113163Specdb::NmrOneD113164Specdb::NmrOneD113165Specdb::NmrOneD113166Specdb::NmrOneD113167Specdb::NmrOneD113168Specdb::NmrOneD113169Specdb::NmrOneD113170Specdb::NmrOneD113171Specdb::NmrOneD113172Specdb::NmrOneD113173Specdb::NmrOneD113174Specdb::NmrOneD113175Specdb::NmrOneD113176Specdb::NmrOneD113177Specdb::MsMs65973Specdb::MsMs65974Specdb::MsMs65975Specdb::MsMs123429Specdb::MsMs123430Specdb::MsMs123431Specdb::MsMs2438473Specdb::MsMs2438474Specdb::MsMs2438475Specdb::MsMs2523336Specdb::MsMs2523337Specdb::MsMs2523338HMDB32387#<Reference:0x00005556759f0350>fruity