1.0 2010-04-08 22:05:47 UTC 2019-11-26 02:59:10 UTC FDB003415 Cyclohexanol Cyclohexanol, 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 . Hexahydrophenol C6H12O 100.1589 100.088815006 cyclohexanol cyclohexanol 108-93-0 OC1CCCCC1 InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 HPXRVTGHNJAIIH-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. Cyclohexanols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homomonocyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Aliphatic homomonocyclic compound Cyclic alcohol Cyclohexanol Hydrocarbon derivative a small molecule cyclohexanols secondary alcohol logp 1.35 ALOGPS logs -0.77 ALOGPS solubility 1.72e+01 g/l ALOGPS logp 1.28 ChemAxon pka_strongest_acidic 18.18 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac cyclohexanol ChemAxon average_mass 100.1589 ChemAxon mono_mass 100.088815006 ChemAxon smiles OC1CCCCC1 ChemAxon formula C6H12O ChemAxon inchi InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 ChemAxon inchikey HPXRVTGHNJAIIH-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 29.28 ChemAxon polarizability 11.94 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 72 Specdb::CMs 3112 Specdb::CMs 26749 Specdb::CMs 27143 Specdb::CMs 27568 Specdb::CMs 28403 Specdb::NmrOneD 2128 Specdb::NmrOneD 3447 Specdb::NmrOneD 5031 Specdb::NmrOneD 5032 Specdb::MsMs 70107 Specdb::MsMs 70108 Specdb::MsMs 70109 Specdb::MsMs 128541 Specdb::MsMs 128542 Specdb::MsMs 128543 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Okra Type 1 specific Abelmoschus esculentus 455045 Sweet basil Type 1 specific Ocimum basilicum 39350 camphor menthol phenol