1.0 2010-04-08 22:11:37 UTC 2015-07-20 23:14:04 UTC FDB015038 7,8-Dehydro-3,4-dihydro-beta-ionol Flavouring ingredient used in artificial raspberry flavours 1,3-Cyclohexadiene-1-propanol, alpha,2,6,6-tetramethyl- 7,8-Dehydro-3,4-dihydro-b-ionol a,2,6,6-Tetramethyl-1,3-cyclohexadiene-1-propanol, 9CI alpha,2,6,6-Tetramethyl-1,3-cyclohexadiene-1-propanol Dehydrodihydroionol FEMA 3446 C13H22O 194.3132 194.167065326 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-ol 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-ol 57069-86-0 CC(O)CCC1=C(C)C=CCC1(C)C InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6,11,14H,7-9H2,1-4H3 WPGXAVCJKGSOBD-UHFFFAOYSA-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 Hydrocarbon derivative Megastigmane sesquiterpenoid Organic oxygen compound Organooxygen compound Secondary alcohol Sesquiterpenoid logp 4.29 ALOGPS logs -2.70 ALOGPS solubility 3.88e-01 g/l ALOGPS logp 2.89 ChemAxon pka_strongest_acidic 17.72 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 4-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)butan-2-ol ChemAxon average_mass 194.3132 ChemAxon mono_mass 194.167065326 ChemAxon smiles CC(O)CCC1=C(C)C=CCC1(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/h5-6,11,14H,7-9H2,1-4H3 ChemAxon inchikey WPGXAVCJKGSOBD-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 62.98 ChemAxon polarizability 24.02 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17886 Specdb::CMs 44768 Specdb::CMs 134598 Specdb::CMs 142332 Specdb::MsIr 7166 Specdb::MsIr 7167 Specdb::MsIr 7168 Specdb::MsMs 93966 Specdb::MsMs 93967 Specdb::MsMs 93968 Specdb::MsMs 157863 Specdb::MsMs 157864 Specdb::MsMs 157865 Specdb::MsMs 2439118 Specdb::MsMs 2439119 Specdb::MsMs 2439120 Specdb::MsMs 2524086 Specdb::MsMs 2524087 Specdb::MsMs 2524088 HMDB36184 #<Reference:0x000055ce31dd6bc0>