1.0 2010-04-08 22:07:55 UTC 2025-11-18 23:06:50 UTC FDB008093 1-Hexen-3-ol Flavouring ingredient. 1-Hexen-3-ol is found in tea, lemon, and corn. FEMA 3608 Hexen-3-ol Propyl vinyl carbinol C6H12O 100.1589 100.088815006 hex-1-en-3-ol 1-hexen-3-ol 4798-44-1 CCCC(O)C=C InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3 BVOSSZSHBZQJOI-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol logp 1.71 ALOGPS logs -0.70 ALOGPS solubility 1.99e+01 g/l ALOGPS logp 1.6 ChemAxon pka_strongest_acidic 17.6 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac hex-1-en-3-ol ChemAxon average_mass 100.1589 ChemAxon mono_mass 100.088815006 ChemAxon smiles CCCC(O)C=C ChemAxon formula C6H12O ChemAxon inchi InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3 ChemAxon inchikey BVOSSZSHBZQJOI-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 30.97 ChemAxon polarizability 12.25 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1953 Specdb::MsIr 4532 Specdb::MsIr 4533 Specdb::MsIr 4534 Specdb::CMs 14413 Specdb::CMs 42507 Specdb::CMs 167949 Specdb::MsMs 67914 Specdb::MsMs 67915 Specdb::MsMs 67916 Specdb::MsMs 125826 Specdb::MsMs 125827 Specdb::MsMs 125828 Specdb::MsMs 2334346 Specdb::MsMs 2334347 Specdb::MsMs 2334348 Specdb::MsMs 2627966 Specdb::MsMs 2627967 Specdb::MsMs 2627968 Specdb::NmrOneD 3874 Specdb::NmrOneD 4143 Specdb::NmrOneD 18982 Specdb::NmrOneD 18983 Specdb::NmrOneD 18984 Specdb::NmrOneD 18985 Specdb::NmrOneD 18986 Specdb::NmrOneD 18987 Specdb::NmrOneD 18988 Specdb::NmrOneD 18989 Specdb::NmrOneD 18990 Specdb::NmrOneD 18991 Specdb::NmrOneD 18992 Specdb::NmrOneD 18993 Specdb::NmrOneD 18994 Specdb::NmrOneD 18995 Specdb::NmrOneD 18996 Specdb::NmrOneD 18997 Specdb::NmrOneD 18998 Specdb::NmrOneD 18999 Specdb::NmrOneD 19000 Specdb::NmrOneD 19001 HMDB0031503 Black tea Type 1 Corn Type 1 specific Zea mays 4577 Green tea Type 1 Herbal tea Type 1 Lemon Type 1 specific Citrus limon 2708 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 ethereal green rum