1.0 2010-04-08 22:09:30 UTC 2015-07-20 22:38:37 UTC FDB011176 Ethyl cyclohexanecarboxylate Flavouring ingredient Cyclohexanecarboxylic acid, ethyl ester Ethoxycarbonylcyclohexane Ethyl cyclohexanecarboxylate Ethyl cyclohexanoate Ethyl cyclohexanocarboxylate Ethyl cyclohexylcarboxylate Ethyl cyclohexylformate Ethyl cyclohexylmethanoate Ethyl hexahydrobenzoate FEMA 3544 C9H16O2 156.2221 156.115029756 ethyl cyclohexanecarboxylate ethyl cyclohexanecarboxylate 3289-28-9 CCOC(=O)C1CCCCC1 InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3 JJOYCHKVKWDMEA-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic homomonocyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.54 ALOGPS logs -2.28 ALOGPS solubility 8.26e-01 g/l ALOGPS logp 2.39 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac ethyl cyclohexanecarboxylate ChemAxon average_mass 156.2221 ChemAxon mono_mass 156.115029756 ChemAxon smiles CCOC(=O)C1CCCCC1 ChemAxon formula C9H16O2 ChemAxon inchi InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3 ChemAxon inchikey JJOYCHKVKWDMEA-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 43.36 ChemAxon polarizability 18.28 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19944 Specdb::CMs 147979 Specdb::MsIr 6013 Specdb::MsIr 6014 Specdb::MsMs 69939 Specdb::MsMs 69940 Specdb::MsMs 69941 Specdb::MsMs 128325 Specdb::MsMs 128326 Specdb::MsMs 128327 Specdb::MsMs 2757309 Specdb::MsMs 2757310 Specdb::MsMs 2757311 Specdb::MsMs 2947842 Specdb::MsMs 2947843 Specdb::MsMs 2947844 HMDB33167 #<Reference:0x000055ce323a7478> cheese fruit fruity winey