1.0 2010-04-08 22:12:58 UTC 2015-07-20 23:36:40 UTC FDB017237 beta-Ionyl acetate Flavouring agent b-Ionyl acetate FEMA 3844 C15H24O2 236.3499 236.177630012 (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate 22030-19-9 CC(OC(C)=O)\C=C\C1=C(C)CCCC1(C)C InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3/b9-8+ WODKSVNXBYBTQC-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 Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclofarsesane sesquiterpenoid Hydrocarbon derivative Ionone derivative Megastigmane sesquiterpenoid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 5.07 ALOGPS logs -3.81 ALOGPS solubility 3.70e-02 g/l ALOGPS logp 3.48 ChemAxon pka_strongest_basic -7 ChemAxon iupac (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-yl acetate ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC(OC(C)=O)\C=C\C1=C(C)CCCC1(C)C ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3/b9-8+ ChemAxon inchikey WODKSVNXBYBTQC-CMDGGOBGSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 71.97 ChemAxon polarizability 28.01 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21701 Specdb::CMs 130620 Specdb::CMs 138354 Specdb::MsMs 93315 Specdb::MsMs 93316 Specdb::MsMs 93317 Specdb::MsMs 157059 Specdb::MsMs 157060 Specdb::MsMs 157061 Specdb::MsMs 2711228 Specdb::MsMs 2711229 Specdb::MsMs 2711230 Specdb::MsMs 2997500 Specdb::MsMs 2997501 Specdb::MsMs 2997502 HMDB38027 #<Reference:0x000055ce328dd140> berry jam raspberry sweet violet woody