1.0 2010-04-08 22:05:49 UTC 2015-07-20 21:55:32 UTC FDB003477 Cyclohexaneacetic acid Flavouring ingredient Cyclohexane-acetic acid Cyclohexaneacetate Cyclohexylacetic acid Cyclohexylethanoate Cyclohexylethanoic acid FEMA 2347 Hexahydrophenylacetic acid C8H14O2 142.1956 142.099379692 2-cyclohexylacetic acid cyclohexaneacetic acid 5292-21-7 OC(=O)CC1CCCCC1 InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10) LJOODBDWMQKMFB-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Carboxylic acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acids Aliphatic homomonocyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound monocarboxylic acid logp 2.53 ALOGPS logs -1.86 ALOGPS solubility 1.97e+00 g/l ALOGPS melting_point Mp 33° (27°) logp 2.08 ChemAxon pka_strongest_acidic 4.94 ChemAxon iupac 2-cyclohexylacetic acid ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles OC(=O)CC1CCCCC1 ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10) ChemAxon inchikey LJOODBDWMQKMFB-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 38.42 ChemAxon polarizability 15.95 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 111218 Specdb::NmrOneD 111219 Specdb::NmrOneD 111220 Specdb::NmrOneD 111221 Specdb::NmrOneD 111222 Specdb::NmrOneD 111223 Specdb::NmrOneD 111224 Specdb::NmrOneD 111225 Specdb::NmrOneD 111226 Specdb::NmrOneD 111227 Specdb::NmrOneD 111228 Specdb::NmrOneD 111229 Specdb::NmrOneD 111230 Specdb::NmrOneD 111231 Specdb::NmrOneD 111232 Specdb::NmrOneD 111233 Specdb::NmrOneD 111234 Specdb::NmrOneD 111235 Specdb::NmrOneD 111236 Specdb::NmrOneD 111237 Specdb::CMs 23830 Specdb::CMs 29479 Specdb::CMs 42474 Specdb::CMs 100757 Specdb::CMs 161501 Specdb::MsIr 4415 Specdb::MsIr 4416 Specdb::MsIr 4417 Specdb::MsMs 318787 Specdb::MsMs 318788 Specdb::MsMs 318789 Specdb::MsMs 365710 Specdb::MsMs 365711 Specdb::MsMs 365712 Specdb::MsMs 2466452 Specdb::MsMs 2466453 Specdb::MsMs 2466454 Specdb::MsMs 2496011 Specdb::MsMs 2496012 Specdb::MsMs 2496013 HMDB31403 37277 #<Reference:0x000055ce30670260> #<Reference:0x000055ce306700a8> #<Reference:0x000055ce3066fe78> #<Reference:0x000055ce3066fc20> acetic caramel cheese fatty honey jasmine musty powdery sharp