1.0 2010-04-08 22:06:16 UTC 2025-11-18 22:56:27 UTC FDB004494 Hex-cis-3-en-1-ol acetate 3-hexen-1-ol, also known as leaf alcohol or blatteralkohol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, 3-hexen-1-ol is considered to be a fatty alcohol lipid molecule. 3-hexen-1-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-hexen-1-ol is a green and leafy tasting compound and can be found in a number of food items such as black walnut, lemon, pot marjoram, and chinese cinnamon, which makes 3-hexen-1-ol a potential biomarker for the consumption of these food products. 3-hexen-1-ol exists in all eukaryotes, ranging from yeast to humans. C6H12O 100.1589 100.088815006 (3Z)-hex-3-en-1-yl acetate (Z)-3-hexenyl acetate CC\C=C/CCO InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3- UFLHIIWVXFIJGU-ARJAWSKDSA-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 Wax monoesters acetate ester logp 2.47 ALOGPS logs -2.16 ALOGPS solubility 9.79e-01 g/l ALOGPS logp 1.77 ChemAxon pka_strongest_basic -7 ChemAxon iupac (3Z)-hex-3-en-1-yl acetate ChemAxon average_mass 100.1589 ChemAxon mono_mass 100.088815006 ChemAxon smiles CC\C=C/CCO ChemAxon formula C6H12O ChemAxon inchi InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3- ChemAxon inchikey UFLHIIWVXFIJGU-ARJAWSKDSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 41.6 ChemAxon polarizability 16.44 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8793 Specdb::MsIr 8794 Specdb::CMs 3402 Specdb::CMs 28451 Specdb::CMs 102074 Specdb::CMs 147265 Specdb::EiMs 1538 Specdb::NmrOneD 3867 Specdb::NmrOneD 4136 Specdb::MsMs 44979 Specdb::MsMs 44980 Specdb::MsMs 44981 Specdb::MsMs 155130 Specdb::MsMs 155131 Specdb::MsMs 155132 Specdb::MsMs 2671308 Specdb::MsMs 2671309 Specdb::MsMs 2671310 Specdb::MsMs 3010950 Specdb::MsMs 3010951 Specdb::MsMs 3010952 HMDB0040215 Black tea Type 1 Green tea Type 1 Guava Type 1 specific Psidium guajava 120290 Herbal tea Type 1 Red tea Type 1 Spearmint Type 1 specific Mentha spicata 29719 Sweet basil Type 1 specific Ocimum basilicum 39350 Tea Type 1 specific Camellia sinensis 4442