1.02010-04-08 22:09:37 UTC2020-09-17 15:31:13 UTCFDB011408cis-3-Hexenyl hexanoatecis-3-Hexenyl hexanoate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. cis-3-Hexenyl hexanoate is very hydrophobic, practically insoluble in water, and relatively neutral. cis-3-Hexenyl hexanoate has a fruity, grassy, and green taste. cis-3-Hexenyl hexanoate has been detected in citrus, fruits, herbs and spices, and tea. This could make cis-3-hexenyl hexanoate a potential biomarker for the consumption of these foods. cis-3-Hexenyl hexanoate is the main volatile compound that gives passion fruit its distinctive aroma (https://doi.org/10.1590/S0101-20612011000200023). It is also found in medical plants such as Chamomile (Matricaria recutita L. (https://doi: 10.1021/bk-1993-0525.ch020).(3Z)-3-Hexenyl hexanoate(Z)-3-Hexen-1-ol, hexanoate(Z)-3-hexenyl hexanoate(Z)-Hex-3-enyl hexanoate3-Hexen-1-ol hexanoate, cis3-Hexen-1-ol, hexanoate, (Z)-3-Hexenyl ester(Z)-hexanoic acid3-Hexenyl hexanoate, (Z)-3-Hexenyl hexanoate, cis-Cis-β-hexenyl caproatecis-3-Hexenyl Caproatecis-3-Hexenyl caproate (hexanoate)cis-3-Hexenyl hexanoatecis-3-Hexenyl Hexoatecis-3-Hexenyl n-hexanoatecis-beta -Hexenyl caproatecis-Hexanoic Acid, 3-hexenyl esterFEMA 3403Hexanoate(Z)-3-hexen-1-olHexanoic acid, (3Z)-3-hexen-1-yl esterHexanoic acid, (3Z)-3-hexenyl esterHexanoic Acid, 3-hexenyl EsterHexanoic acid, 3-hexenyl ester, (Z)-n-Caproic acid cis-3-hexenyl esterC12H22O2198.3019198.161979948(3Z)-hex-3-en-1-yl hexanoate(3Z)-hex-3-en-1-yl hexanoate31501-11-8CCCCCC(=O)OCC\C=C/CCInChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-RGACQXBDYBCJCY-ALCCZGGFSA-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 monoesterslogp4.41logs-3.92solubility2.41e-02 g/llogp3.81pka_strongest_basic-7iupac(3Z)-hex-3-en-1-yl hexanoateaverage_mass198.3019mono_mass198.161979948smilesCCCCCC(=O)OCC\C=C/CCformulaC12H22O2inchiInChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-inchikeyRGACQXBDYBCJCY-ALCCZGGFSA-Npolar_surface_area26.3refractivity60.03polarizability24.38rotatable_bond_count9acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs17461Specdb::CMs169918Specdb::MsIr6073Specdb::MsIr6074Specdb::MsMs70572Specdb::MsMs70573Specdb::MsMs70574Specdb::MsMs129099Specdb::MsMs129100Specdb::MsMs129101Specdb::MsMs2763949Specdb::MsMs2763950Specdb::MsMs2763951Specdb::MsMs2940995Specdb::MsMs2940996Specdb::MsMs2940997HMDB33378#<Reference:0x0000555675b293c0>Black teaType 1CitrusUnknowngenericFruitsUnknowngenericGreen teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericRed teaType 1TeaType 1specificCamellia sinensis4442fruitfruitygrassygreenpearpineappleprunetropicalwaxywiney