1.0 2010-04-08 22:08:04 UTC 2018-05-28 23:18:28 UTC FDB008406 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one It is used as a food additive . 3-Methyl-a-ionone Cetone Alpha FEMA 2714 Isomethyl-a-ionone C14H22O 206.3239 206.167065326 (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one 127-51-5 CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+ JRJBVWJSTHECJK-PKNBQFBNSA-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 Alpha-branched alpha,beta-unsaturated ketones Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Alpha-branched 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 4.69 ALOGPS logs -3.51 ALOGPS solubility 6.40e-02 g/l ALOGPS logp 3.71 ChemAxon pka_strongest_acidic 19.7 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one ChemAxon average_mass 206.3239 ChemAxon mono_mass 206.167065326 ChemAxon smiles CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C ChemAxon formula C14H22O ChemAxon inchi InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+ ChemAxon inchikey JRJBVWJSTHECJK-PKNBQFBNSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 66.45 ChemAxon polarizability 24.96 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4906 Specdb::CMs 2964 Specdb::CMs 162486 Specdb::MsMs 108609 Specdb::MsMs 108610 Specdb::MsMs 108611 Specdb::MsMs 175869 Specdb::MsMs 175870 Specdb::MsMs 175871 Specdb::MsMs 2451604 Specdb::MsMs 2451605 Specdb::MsMs 2451606 Specdb::MsMs 2487924 Specdb::MsMs 2487925 Specdb::MsMs 2487926 floral fruity powdery tea violet woody