{"ymdb_id":"YMDB01398","created_at":"2011-07-25T20:32:52.000Z","updated_at":"2016-09-08T18:36:38.000Z","name":"cyclohexanol","cas":"108-93-0","state":"Solid","melting_point":"25.4 oC","description":"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, which, when very pure, melts near room temperature. Billions of kilograms are produced annually, mainly as a precursor to nylon.[Wikipedia]","experimental_water_solubility":"42 mg/mL at 10 oC [FISHER,WB \u0026 VANPEPPEN,JF (1978)]","experimental_logp_hydrophobicity":"1.23 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":"18099","hmdb_id":null,"kegg_id":"C00854","pubchem_id":"7966","cs_id":"7678","foodb_id":null,"wikipedia_link":"cyclohexanol","biocyc_id":null,"iupac":"cyclohexanol","traditional_iupac":"cyclohexanol","logp":"1.2806934630000002","pka":null,"alogps_solubility":"1.72e+01 g/l","alogps_logp":"1.35","alogps_logs":"-0.77","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"20.23","refractivity":"29.275499999999997","polarizability":"11.941435170986574","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.406316569967819","pka_strongest_acidic":"18.183546936516187","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Cyclohexanol","Adronal","Adronol","Anol","Cicloesanolo","Cicloesanolo(Italian)","Cyclohexan-1-ol","Cyclohexane, hydroxy-","Cyclohexanol","Cyclohexanone cyclohexanol mixture","Cyclohexyl alcohol","Cykloheksanol","Cykloheksanol(Polish)","Hexahydrophenol","Hexalin","Hydralin","Hydrophenol","Hydroxycyclohexane","Naxol","Phenol, hexahydro-"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":12236692,"citation":"Patel, S., Shibamoto, T. (2002). \"Effect of different strains of Saccharomyces cerevisiae on production of volatiles in Napa Gamay wine and Petite Sirah wine.\" J Agric Food Chem 50:5649-5653."}],"proteins":[]}