{"ymdb_id":"YMDB01740","created_at":"2011-08-31T03:41:02.000Z","updated_at":"2016-09-08T18:37:04.000Z","name":"Menthol","cas":"2216-51-5","state":"Solid","melting_point":"43 oC","description":"Menthol is a covalent organic compound found in peppermint or other mint oils. The main form of menthol occurring in nature is (-)-menthol, which is assigned the (1R,2S,5R) configuration. Menthol is responsible for peppermint aromas.","experimental_water_solubility":"0.49 mg/mL at 25 oC [CHEMICALS INSPECTION AND TESTING INSTITU (1992)]","experimental_logp_hydrophobicity":"3.40 [GRIFFIN,S ET AL. (1999)]","location":null,"synthesis_reference":null,"chebi_id":"15409","hmdb_id":"HMDB03352","kegg_id":"C00400","pubchem_id":"16666","cs_id":"1216","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"5-methyl-2-(propan-2-yl)cyclohexan-1-ol","traditional_iupac":"menthol natural","logp":"2.6642731470000007","pka":null,"alogps_solubility":"5.58e-01 g/l","alogps_logp":"2.68","alogps_logs":"-2.45","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"20.23","refractivity":"47.445299999999996","polarizability":"19.68997949598219","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-0.8087842408951696","pka_strongest_acidic":"19.54964736878105","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["Fisherman's friend lozenges","Menthol, (1alpha,2beta,5alpha)-isomer"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}