1.0 2010-04-08 22:14:17 UTC 2015-07-21 06:35:04 UTC FDB019345 1-Acetylcyclohexyl acetate Flavourant for food and tobacco 1-(1-(Acetyloxy)cyclohexyl)-ethanone 1-(1-(Acetyloxy)cyclohexyl)ethanone 1-[1-(Acetyloxy)-1-cyclohexyl]ethanone, 9CI 1-Acetoxy-1-acetylcyclohexane 1-Acetoxycyclohexyl methyl ketone 1-Acetylcyclohexyl acetate 1-hydroxycyclohexyl Methyl Ketone Acetate Ethanone, 1-(1-(acetyloxy)cyclohexyl)- FEMA 3701 Ketone, 1-hydroxycyclohexyl methyl, acetate Methyl 1-acetoxycyclohexyl ketone C10H16O3 184.2322 184.109944378 1-acetylcyclohexyl acetate 1-acetylcyclohexyl acetate 52789-73-8 CC(=O)OC1(CCCCC1)C(C)=O InChI=1S/C10H16O3/c1-8(11)10(13-9(2)12)6-4-3-5-7-10/h3-7H2,1-2H3 GIFAYASOTQVRTG-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-acyloxy ketones. These are ketones that have an acyloxy substituent alpha to the carbonyl group. They have the general structure R4C(=O)OC(R2)(R3)C(R1)=O (R1=organyl, R4=H or organyl; R2,R3 = any atom). Alpha-acyloxy ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds Carboxylic acid esters Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Alpha-acyloxy ketone Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide logp 1.44 ALOGPS logs -2.21 ALOGPS solubility 1.13e+00 g/l ALOGPS logp 1.76 ChemAxon pka_strongest_acidic 17.9 ChemAxon pka_strongest_basic -7 ChemAxon iupac 1-acetylcyclohexyl acetate ChemAxon average_mass 184.2322 ChemAxon mono_mass 184.109944378 ChemAxon smiles CC(=O)OC1(CCCCC1)C(C)=O ChemAxon formula C10H16O3 ChemAxon inchi InChI=1S/C10H16O3/c1-8(11)10(13-9(2)12)6-4-3-5-7-10/h3-7H2,1-2H3 ChemAxon inchikey GIFAYASOTQVRTG-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 48.1 ChemAxon polarizability 19.82 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8282 Specdb::MsIr 8283 Specdb::CMs 18521 Specdb::CMs 137023 Specdb::CMs 144757 Specdb::MsMs 78582 Specdb::MsMs 78583 Specdb::MsMs 78584 Specdb::MsMs 138960 Specdb::MsMs 138961 Specdb::MsMs 138962 Specdb::MsMs 2262193 Specdb::MsMs 2262194 Specdb::MsMs 2262195 Specdb::MsMs 3079548 Specdb::MsMs 3079549 Specdb::MsMs 3079550 HMDB39710 #<Reference:0x000055ce32049d30> floral fruity honey nutty sweet