1.0 2010-04-08 22:12:02 UTC 2015-07-20 23:21:55 UTC FDB015768 beta-Ionol Flavouring ingredient 2-Hydroxy-beta-ionone 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-ol 4-(2,6,6-Trimethyl-1-cyclohexenyl)-but-3-en-2-ol b-Ionol beta-Ionol C13H22O 194.3132 194.167065326 (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol 22029-76-1 CC(O)\C=C\C1=C(C)CCCC1(C)C InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+ CNOPDZWOYFOHGN-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 4.44 ALOGPS logs -2.76 ALOGPS solubility 3.34e-01 g/l ALOGPS logp 3.04 ChemAxon pka_strongest_acidic 16.95 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol ChemAxon average_mass 194.3132 ChemAxon mono_mass 194.167065326 ChemAxon smiles CC(O)\C=C\C1=C(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/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+ ChemAxon inchikey CNOPDZWOYFOHGN-BQYQJAHWSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 62.82 ChemAxon polarizability 23.98 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7317 Specdb::MsIr 7318 Specdb::CMs 23016 Specdb::CMs 45054 Specdb::CMs 168925 Specdb::MsMs 89175 Specdb::MsMs 89176 Specdb::MsMs 89177 Specdb::MsMs 152037 Specdb::MsMs 152038 Specdb::MsMs 152039 Specdb::MsMs 2281615 Specdb::MsMs 2281616 Specdb::MsMs 2281617 Specdb::MsMs 3083761 Specdb::MsMs 3083762 Specdb::MsMs 3083763 HMDB36820 #<Reference:0x000055ac3f7a3140> balsam floral herbal sweet tropical violet woody