1.02010-04-08 22:06:16 UTC2019-11-26 03:00:03 UTCFDB004501Hex-cis-3-enyl propionateCis-3-hexenyl propanoate is a member of the class of compounds known as carboxylic acid esters. Carboxylic acid esters 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). Cis-3-hexenyl propanoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cis-3-hexenyl propanoate is an apple, fresh, and fruity tasting compound found in fruits, herbs and spices, and tea, which makes cis-3-hexenyl propanoate a potential biomarker for the consumption of these food products.C9H16O2156.2221156.115029756(3Z)-hex-3-en-1-yl propanoate(3Z)-hex-3-en-1-yl propanoateCC\C=C/CCOC(=O)CCInChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-LGTLDEUQCOJGFP-WAYWQWQTSA-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 compoundlogp2.74logs-2.33solubility7.38e-01 g/llogp2.47pka_strongest_basic-7iupac(3Z)-hex-3-en-1-yl propanoateaverage_mass156.2221mono_mass156.115029756smilesCC\C=C/CCOC(=O)CCformulaC9H16O2inchiInChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-inchikeyLGTLDEUQCOJGFP-WAYWQWQTSA-Npolar_surface_area26.3refractivity46.23polarizability18.5rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs11039Specdb::CMs28289Specdb::CMs101951Specdb::CMs132537Specdb::CMs140271Specdb::MsIr7867Specdb::MsIr7868Specdb::MsMs88116Specdb::MsMs88117Specdb::MsMs88118Specdb::MsMs150780Specdb::MsMs150781Specdb::MsMs150782Specdb::MsMs2311976Specdb::MsMs2311977Specdb::MsMs2311978Specdb::MsMs2650709Specdb::MsMs2650710Specdb::MsMs2650711Black teaType 1Green teaType 1Herbal teaType 1Red teaType 1TeaType 1specificCamellia sinensis4442