{"ymdb_id":"YMDB15914","created_at":"2016-08-03T23:48:54.000Z","updated_at":"2016-09-12T20:54:13.000Z","name":"1-Decanol","cas":null,"state":"Liquid","melting_point":null,"description":"1-Decanol, or decyl alcohol, is a straight chain fatty alcohol with ten carbon atoms and the molecular formula CH3(CH2)9OH. It is a colorless viscous liquid that is insoluble in water. It is colorless and has a strong odour. Decanol is used in the manufacture of plasticizers, lubricants, surfactants and solvents. Decanol causes a high irritability to skin and eyes, when splashed into the eyes it can cause permanent damage. Also inhalation and ingestion can be harmful, it can also function as a narcotic. It is also harmful in the environment (Wikipedia).","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"decan-1-ol","traditional_iupac":"decanol","logp":"3.4727339360000005","pka":null,"alogps_solubility":"4.92e-02 g/l","alogps_logp":"4.24","alogps_logs":"-3.51","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"8","polar_surface_area":"20.23","refractivity":"49.740899999999996","polarizability":"21.625306356464378","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.9922594096606376","pka_strongest_acidic":"16.84394282199214","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}