1.0 2010-04-08 22:13:02 UTC 2015-07-20 23:37:59 UTC FDB017357 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one Flavouring ingredient (1E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one β-ionone, methyl- β-iraldeine β-methylionone β-n-methyl ionone 1-Methyl-b-ionone 1-Penten-3-one-(2,6,6-trimethyl-1-cyclohen-1-yl) 1-Penten-3-one, 1-(2,6, 6-trimethyl-1-cyclohexen-1-yl)- 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- 5-(2,6, 6-Trimethyl-1-cyclohexenyl)-4-penten-3-one 5-(2,6,6-Trimethyl-1-cyclohexenyl)-4-penten-3-one b-Methylionone Beta methyl ionone beta-Iraldeine beta-Methylionone beta-N-Methyl ionone FEMA 2712 methyl ionone Methyl-β-ionone Methyl-beta-ionone C14H22O 206.3239 206.167065326 (1E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-one (1E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-one 127-43-5 CCC(=O)\C=C\C1=C(C)CCCC1(C)C InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+ LMWNGLDCJDIIBR-CMDGGOBGSA-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 Acryloyl compounds Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Carbonyl group Cyclofarsesane sesquiterpenoid Enone Hydrocarbon derivative Ionone derivative Ketone Megastigmane sesquiterpenoid Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 4.57 ALOGPS logs -3.46 ALOGPS solubility 7.09e-02 g/l ALOGPS logp 3.98 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (1E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-one ChemAxon average_mass 206.3239 ChemAxon mono_mass 206.167065326 ChemAxon smiles CCC(=O)\C=C\C1=C(C)CCCC1(C)C ChemAxon formula C14H22O ChemAxon inchi InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+ ChemAxon inchikey LMWNGLDCJDIIBR-CMDGGOBGSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 66.45 ChemAxon polarizability 25.36 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22553 Specdb::CMs 135844 Specdb::CMs 143578 Specdb::MsIr 7821 Specdb::MsIr 7822 Specdb::MsMs 76698 Specdb::MsMs 76699 Specdb::MsMs 76700 Specdb::MsMs 136599 Specdb::MsMs 136600 Specdb::MsMs 136601 Specdb::MsMs 2264389 Specdb::MsMs 2264390 Specdb::MsMs 2264391 Specdb::MsMs 3075030 Specdb::MsMs 3075031 Specdb::MsMs 3075032 HMDB38130 #<Reference:0x000055ce33471e48> floral woody