1.02010-04-08 22:10:24 UTC2018-05-28 23:39:49 UTCFDB012870Heptyl heptanoateIt is used in food flavouring.Heptanoic acid, heptyl esterHeptyl heptanoateHeptyl heptoateC14H28O2228.3709228.20893014heptyl heptanoateheptanoic acid, heptyl ester624-09-9CCCCCCCOC(=O)CCCCCCInChI=1S/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3QOIIBPAJVWFEPE-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 estersOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acid estersAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundLiquidlogp5.63logs-5.21solubility1.40e-03 g/lmelting_point-33 oClogp5.06pka_strongest_basic-7iupacheptyl heptanoateaverage_mass228.3709mono_mass228.20893014smilesCCCCCCCOC(=O)CCCCCCformulaC14H28O2inchiInChI=1S/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3inchikeyQOIIBPAJVWFEPE-UHFFFAOYSA-Npolar_surface_area26.3refractivity68.12polarizability30.1rotatable_bond_count12acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs20722Specdb::CMs28304Specdb::CMs101641Specdb::CMs159680Specdb::MsMs46098Specdb::MsMs46099Specdb::MsMs46100Specdb::MsMs174807Specdb::MsMs174808Specdb::MsMs174809Specdb::MsMs2743825Specdb::MsMs2743826Specdb::MsMs2743827Specdb::MsMs2934342Specdb::MsMs2934343Specdb::MsMs2934344HMDB34461#<Reference:0x00005556759ca8f8>grassygreen