1.0 2010-04-08 22:06:16 UTC 2025-11-18 22:56:34 UTC FDB004512 Hex-trans-3-enyl propionate Hex-trans-3-enyl propionate 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). Hex-trans-3-enyl propionate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Hex-trans-3-enyl propionate can be found in tea, which makes hex-trans-3-enyl propionate a potential biomarker for the consumption of this food product. C9H16O2 156.225 156.115029755 (3E)-hex-3-en-1-yl propanoate (3E)-hex-3-en-1-yl propanoate [H]\C(CC)=C(\[H])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-AATRIKPKSA-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 (3E)-hex-3-en-1-yl propanoate ChemAxon average_mass 156.225 ChemAxon mono_mass 156.115029755 ChemAxon smiles [H]\C(CC)=C(\[H])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-AATRIKPKSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 46.23 ChemAxon polarizability 18.69 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 79443 Specdb::MsMs 79444 Specdb::MsMs 79445 Specdb::MsMs 140052 Specdb::MsMs 140053 Specdb::MsMs 140054 Specdb::MsMs 3600578 Specdb::MsMs 3600579 Specdb::MsMs 3600580 Specdb::MsMs 3600581 Specdb::MsMs 3600582 Specdb::MsMs 3600583 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442