1.02010-04-08 22:10:32 UTC2019-11-26 03:08:00 UTCFDB013123Hexyl propionateFlavouring ingredient1-Hexyl propanoate1-Hexyl propionateFEMA 2576Hexyl propanoateHexyl propionateN-hexyl n-propionateN-hexyl propionatePropanoic acid, hexyl esterPropionic acid, hexyl esterC9H18O2158.238158.13067982hexyl propanoatepropanoic acid, hexyl ester2445-76-3CCCCCCOC(=O)CCInChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3GOKKOFHHJFGZHW-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).Carboxylic acid estersOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivativesAliphatic acyclic compoundsCarbonyl compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundWax monoestersfatty acid esterpropanoate esterlogp3.42logs-2.79solubility2.54e-01 g/lmelting_pointMp -57.5°logp2.84pka_strongest_basic-7iupachexyl propanoateaverage_mass158.238mono_mass158.13067982smilesCCCCCCOC(=O)CCformulaC9H18O2inchiInChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3inchikeyGOKKOFHHJFGZHW-UHFFFAOYSA-Npolar_surface_area26.3refractivity45.12polarizability19.6rotatable_bond_count7acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr6648Specdb::MsIr6649Specdb::CMs21587Specdb::CMs28290Specdb::CMs101649Specdb::CMs132356Specdb::CMs140090Specdb::MsMs85701Specdb::MsMs85702Specdb::MsMs85703Specdb::MsMs147840Specdb::MsMs147841Specdb::MsMs147842Specdb::MsMs2297108Specdb::MsMs2297109Specdb::MsMs2297110Specdb::MsMs2642526Specdb::MsMs2642527Specdb::MsMs2642528HMDB34606#<Reference:0x0000555675fe4d10>AppleType 1specificMalus pumila283210Asian pearType 1specificPyrus pyrifolia3767Sweet cherryType 1specificPrunus avium42229fruitfruitygreenmelonmustypearrotting