1.0 2010-04-08 22:06:16 UTC 2025-11-18 22:56:30 UTC FDB004503 Hex-trans-2-en-1-ol Hex-trans-2-en-1-ol, also known as trans-2-hexenol or 2-hexenyl alcohol, 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, hex-trans-2-en-1-ol is considered to be a fatty alcohol lipid molecule. Hex-trans-2-en-1-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). Hex-trans-2-en-1-ol is a fresh, fruity, and green tasting compound and can be found in a number of food items such as tea, pulses, sweet orange, and fruits, which makes hex-trans-2-en-1-oll a potential biomarker for the consumption of these food products. C6H12O 100.1589 100.088815006 (2E)-hex-2-en-1-ol (2E)-hex-2-en-1-ol CCC\C=C\CO InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+ ZCHHRLHTBGRGOT-SNAWJCMRSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Fatty alcohols logp 1.79 ALOGPS logs -0.87 ALOGPS solubility 1.35e+01 g/l ALOGPS logp 1.49 ChemAxon pka_strongest_acidic 16.08 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac (2E)-hex-2-en-1-ol ChemAxon average_mass 100.1589 ChemAxon mono_mass 100.088815006 ChemAxon smiles CCC\C=C\CO ChemAxon formula C6H12O ChemAxon inchi InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+ ChemAxon inchikey ZCHHRLHTBGRGOT-SNAWJCMRSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 32.3 ChemAxon polarizability 12.47 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 106839 Specdb::MsMs 106840 Specdb::MsMs 106841 Specdb::MsMs 173676 Specdb::MsMs 173677 Specdb::MsMs 173678 Specdb::MsMs 2453017 Specdb::MsMs 2453018 Specdb::MsMs 2453019 Specdb::MsMs 2482726 Specdb::MsMs 2482727 Specdb::MsMs 2482728 Specdb::CMs 3205 Specdb::CMs 28467 Specdb::CMs 42265 Specdb::CMs 100579 Specdb::CMs 167742 Specdb::EiMs 1649 Specdb::MsIr 4032 Specdb::MsIr 4033 Specdb::NmrOneD 3997 Specdb::NmrOneD 4285 Specdb::NmrOneD 162449 Specdb::NmrOneD 162450 Specdb::NmrOneD 162451 Specdb::NmrOneD 162452 Specdb::NmrOneD 162453 Specdb::NmrOneD 162454 Specdb::NmrOneD 162455 Specdb::NmrOneD 162456 Specdb::NmrOneD 162457 Specdb::NmrOneD 162458 Specdb::NmrOneD 162459 Specdb::NmrOneD 162460 Specdb::NmrOneD 162461 Specdb::NmrOneD 162462 Specdb::NmrOneD 162463 Specdb::NmrOneD 162464 Specdb::NmrOneD 162465 Specdb::NmrOneD 162466 Specdb::NmrOneD 162467 Specdb::NmrOneD 162468 HMDB0030952 Bilberry Type 1 specific Vaccinium myrtillus 180763 0.001 0.001 0.001 mg/100 g Black tea Type 1 50.0 50.0 50.0 mg/100 g Common wheat Type 1 specific Triticum aestivum 4565 Corn Type 1 specific Zea mays 4577 Green tea Type 1 50.0 50.0 50.0 mg/100 g Herbal tea Type 1 50.0 50.0 50.0 mg/100 g Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.026 0.026 0.026 mg/100 g Red tea Type 1 50.0 50.0 50.0 mg/100 g Spearmint Type 1 specific Mentha spicata 29719 Tea Type 1 specific Camellia sinensis 4442 50.0 50.0 50.0 mg/100 g