1.02010-04-08 22:14:41 UTC2019-11-26 03:18:04 UTCFDB019923Butyl hexanoatePresent in fruits and berries, e.g. apricot, banana, orange, wine grapes, papaya etcand is) also present in beer, apple brandy and plum wine. It is used in fruit flavourings. Butyl hexanoate is found in many foods, some of which are fruits, pomes, alcoholic beverages, and citrus.Butyl caproateButyl caprylateButyl ester of hexanoic acidButyl hexanoateFEMA 2201Hexanoic acid, butyl esterN-butyl caproateN-butyl hexanoateN-butyl n-hexanoateN-caproic acid n-butyl esterC10H20O2172.2646172.146329884butyl hexanoateN-butyl hexanoate626-82-4CCCCCC(=O)OCCCCInChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3RPRPDTXKGSIXMD-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 compoundWax monoesterslogp3.75logs-3.15solubility1.21e-01 g/lmelting_pointFp -68.4°logp3.28pka_strongest_basic-7iupacbutyl hexanoateaverage_mass172.2646mono_mass172.146329884smilesCCCCCC(=O)OCCCCformulaC10H20O2inchiInChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3inchikeyRPRPDTXKGSIXMD-UHFFFAOYSA-Npolar_surface_area26.3refractivity49.72polarizability21.47rotatable_bond_count8acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs13124Specdb::CMs27885Specdb::CMs28563Specdb::CMs102069Specdb::CMs102070Specdb::CMs131879Specdb::CMs139613Specdb::MsIr8785Specdb::MsIr8786Specdb::MsMs50229Specdb::MsMs50230Specdb::MsMs50231Specdb::MsMs166083Specdb::MsMs166084Specdb::MsMs166085Specdb::MsMs2349251Specdb::MsMs2349252Specdb::MsMs2349253Specdb::MsMs2586793Specdb::MsMs2586794Specdb::MsMs2586795HMDB40211#<Reference:0x00005556762e4588>Alcoholic beveragesUnknowngenericAsian pearType 1specificPyrus pyrifolia3767CitrusUnknowngenericFruitsUnknowngenericPapayaType 1specificCarica papaya3649PearType 1specificPyrus communis23211PomesUnknowngenericSweet cherryType 1specificPrunus avium42229berryfruitfruitypineapplewine