{"ymdb_id":"YMDB01330","created_at":"2011-07-25T20:18:26.000Z","updated_at":"2016-09-08T18:36:32.000Z","name":"2-Ethyl-1-hexanol","cas":"104-76-7","state":"Liquid","melting_point":"-70 oC","description":"2-Ethylhexanol (abbreviated 2-EH) is a fatty alcohol, an organic compound is a branched, eight-carbon chiral alcohol.[Wikipedia]","experimental_water_solubility":"0.88 mg/mL at 25 oC [AMIDON,GL et al. (1974)]","experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":"16011","hmdb_id":null,"kegg_id":"C02498","pubchem_id":"7720","cs_id":"7434","foodb_id":null,"wikipedia_link":"2-Ethyl-1-hexanol","biocyc_id":null,"iupac":"2-ethylhexan-1-ol","traditional_iupac":"2-ethylhexanol","logp":"2.5040007673333333","pka":null,"alogps_solubility":"8.06e-01 g/l","alogps_logp":"3.01","alogps_logs":"-2.21","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"20.23","refractivity":"40.409499999999994","polarizability":"17.017334010524003","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.6185798866964136","pka_strongest_acidic":"17.69826271902969","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Hexanol, 2-ethyl-","2-Ethyl-1-hexanol","2-Ethyl-hexanol-1","2-Ethylhexan-1-ol","2-Ethylhexanol","2-Ethylhexyl alcohol","Ethyl-1-hexanol,2-","Ethylhexanol","Ethylhexyl alcohol","Hexan-1-ol, 2-ethyl","Hexanol, 2-ethyl-","Octyl alcohol","Surfynol 104A"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":20151225,"citation":"Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). \"A new process for wine production by penetration of yeast in uncrushed frozen grapes.\" Appl Biochem Biotechnol 162:1109-1121."}],"proteins":[]}