1.02010-04-08 22:05:47 UTC2019-11-26 02:59:10 UTCFDB003415CyclohexanolCyclohexanol, also known as hexahydrophenol or hexalin, is a member of the class of compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. Cyclohexanol is soluble (in water) and an extremely weak acidic compound (based on its pKa). Cyclohexanol is a camphor, menthol, and phenol tasting compound found in garden tomato (variety), okra, and sweet basil, which makes cyclohexanol a potential biomarker for the consumption of these food products. Cyclohexanol is a non-carcinogenic (not listed by IARC) potentially toxic compound. Cyclohexanol is the organic compound with the formula (CH2)5CHOH. The molecule is related to cyclohexane ring by replacement of one hydrogen atom by a hydroxyl group. This compound exists as a deliquescent colorless solid with a camphor-like odor, which, when very pure, melts near room temperature. Billions of kilograms are produced annually, mainly as a precursor to nylon .HexahydrophenolC6H12O100.1589100.088815006cyclohexanolcyclohexanol108-93-0OC1CCCCC1InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2HPXRVTGHNJAIIH-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring.CyclohexanolsOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyolsAliphatic homomonocyclic compoundsCyclic alcohols and derivativesHydrocarbon derivativesAliphatic homomonocyclic compoundCyclic alcoholCyclohexanolHydrocarbon derivativea small moleculecyclohexanolssecondary alcohollogp1.35logs-0.77solubility1.72e+01 g/llogp1.28pka_strongest_acidic18.18pka_strongest_basic-1.4iupaccyclohexanolaverage_mass100.1589mono_mass100.088815006smilesOC1CCCCC1formulaC6H12OinchiInChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2inchikeyHPXRVTGHNJAIIH-UHFFFAOYSA-Npolar_surface_area20.23refractivity29.28polarizability11.94rotatable_bond_count0acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs3112Specdb::CMs26749Specdb::CMs27143Specdb::CMs27568Specdb::CMs28403Specdb::NmrOneD2128Specdb::NmrOneD3447Specdb::NmrOneD5031Specdb::NmrOneD5032Specdb::EiMs72Specdb::MsMs70107Specdb::MsMs70108Specdb::MsMs70109Specdb::MsMs128541Specdb::MsMs128542Specdb::MsMs128543Garden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755OkraType 1specificAbelmoschus esculentus455045Sweet basilType 1specificOcimum basilicum39350camphormentholphenol