1.0 2010-04-08 22:13:32 UTC 2025-11-19 02:09:30 UTC FDB018141 4,7-Megastigmadien-9-ol It is used as a food additive 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol, 9CI C13H22O 194.3132 194.167065326 (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol 25312-34-9 CC(O)\C=C\C1C(C)=CCCC1(C)C InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+ PWDOJWCZWKWKSE-BQYQJAHWSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homomonocyclic compound Cyclofarsesane sesquiterpenoid Hydrocarbon derivative Ionone derivative Megastigmane sesquiterpenoid Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid logp 4.10 ALOGPS logs -3.15 ALOGPS solubility 1.37e-01 g/l ALOGPS logp 3.09 ChemAxon pka_strongest_acidic 16.91 ChemAxon pka_strongest_basic -2 ChemAxon iupac (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol ChemAxon average_mass 194.3132 ChemAxon mono_mass 194.167065326 ChemAxon smiles CC(O)\C=C\C1C(C)=CCCC1(C)C ChemAxon formula C13H22O ChemAxon inchi InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+ ChemAxon inchikey PWDOJWCZWKWKSE-BQYQJAHWSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 63.09 ChemAxon polarizability 23.93 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23943 Specdb::CMs 28531 Specdb::CMs 46013 Specdb::CMs 101988 Specdb::CMs 159310 Specdb::MsMs 58863 Specdb::MsMs 58864 Specdb::MsMs 58865 Specdb::MsMs 114885 Specdb::MsMs 114886 Specdb::MsMs 114887 Specdb::MsMs 2672645 Specdb::MsMs 2672646 Specdb::MsMs 2672647 Specdb::MsMs 3032534 Specdb::MsMs 3032535 Specdb::MsMs 3032536 HMDB0038731 floral ionone sweet tropical violet woody