1.0 2010-04-08 22:06:16 UTC 2025-11-18 22:56:29 UTC FDB004501 Hex-cis-3-enyl propionate Cis-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. C9H16O2 156.2221 156.115029756 (3Z)-hex-3-en-1-yl propanoate (3Z)-hex-3-en-1-yl propanoate CC\C=C/CCOC(=O)CC InChI=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 esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.74 ALOGPS logs -2.33 ALOGPS solubility 7.38e-01 g/l ALOGPS logp 2.47 ChemAxon pka_strongest_basic -7 ChemAxon iupac (3Z)-hex-3-en-1-yl propanoate ChemAxon average_mass 156.2221 ChemAxon mono_mass 156.115029756 ChemAxon smiles CC\C=C/CCOC(=O)CC ChemAxon formula C9H16O2 ChemAxon inchi InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5- ChemAxon inchikey LGTLDEUQCOJGFP-WAYWQWQTSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 46.23 ChemAxon polarizability 18.5 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7867 Specdb::MsIr 7868 Specdb::CMs 11039 Specdb::CMs 28289 Specdb::CMs 101951 Specdb::CMs 132537 Specdb::CMs 140271 Specdb::MsMs 88116 Specdb::MsMs 88117 Specdb::MsMs 88118 Specdb::MsMs 150780 Specdb::MsMs 150781 Specdb::MsMs 150782 Specdb::MsMs 2311976 Specdb::MsMs 2311977 Specdb::MsMs 2311978 Specdb::MsMs 2650709 Specdb::MsMs 2650710 Specdb::MsMs 2650711 HMDB0038275 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442