1.02010-04-08 22:05:49 UTC2015-07-20 21:55:32 UTCFDB003477Cyclohexaneacetic acidFlavouring ingredientCyclohexane-acetic acidCyclohexaneacetateCyclohexylacetic acidCyclohexylethanoateCyclohexylethanoic acidFEMA 2347Hexahydrophenylacetic acidC8H14O2142.1956142.0993796922-cyclohexylacetic acidcyclohexaneacetic acid5292-21-7OC(=O)CC1CCCCC1InChI=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 acidsOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acidsAliphatic homomonocyclic compoundsCarbonyl compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCarboxylic acidHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundmonocarboxylic acidlogp2.53logs-1.86solubility1.97e+00 g/lmelting_pointMp 33° (27°)logp2.08pka_strongest_acidic4.94iupac2-cyclohexylacetic acidaverage_mass142.1956mono_mass142.099379692smilesOC(=O)CC1CCCCC1formulaC8H14O2inchiInChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)inchikeyLJOODBDWMQKMFB-UHFFFAOYSA-Npolar_surface_area37.3refractivity38.42polarizability15.95rotatable_bond_count2acceptor_count2donor_count1physiological_charge-1formal_charge0Specdb::CMs23830Specdb::CMs29479Specdb::CMs42474Specdb::CMs100757Specdb::CMs161501Specdb::MsIr4415Specdb::MsIr4416Specdb::MsIr4417Specdb::NmrOneD111218Specdb::NmrOneD111219Specdb::NmrOneD111220Specdb::NmrOneD111221Specdb::NmrOneD111222Specdb::NmrOneD111223Specdb::NmrOneD111224Specdb::NmrOneD111225Specdb::NmrOneD111226Specdb::NmrOneD111227Specdb::NmrOneD111228Specdb::NmrOneD111229Specdb::NmrOneD111230Specdb::NmrOneD111231Specdb::NmrOneD111232Specdb::NmrOneD111233Specdb::NmrOneD111234Specdb::NmrOneD111235Specdb::NmrOneD111236Specdb::NmrOneD111237Specdb::MsMs318787Specdb::MsMs318788Specdb::MsMs318789Specdb::MsMs365710Specdb::MsMs365711Specdb::MsMs365712Specdb::MsMs2466452Specdb::MsMs2466453Specdb::MsMs2466454Specdb::MsMs2496011Specdb::MsMs2496012Specdb::MsMs2496013HMDB3140337277#<Reference:0x0000555676260e68>#<Reference:0x0000555676260c60>#<Reference:0x0000555676260a58>#<Reference:0x0000555676260878>aceticcaramelcheesefattyhoneyjasminemustypowderysharp