{"ymdb_id":"YMDB01583","created_at":"2011-08-31T03:24:58.000Z","updated_at":"2016-09-08T18:36:51.000Z","name":"2-Ethoxy-hexa-3,5-diene","cas":"56752-55-7","state":null,"melting_point":null,"description":"2-Ethoxy-hexa-3,5-diene is a compound responsible for crushed geranium leaves odors. It is detected in wines treated with sorbic acid used as a yeast inhibitor for the stabilization of table wines containing residual sugar. 2-Ethoxy-hexa-3,5-diene is spontaneously formed from sorbyl alcohol (2,4-hexadien-1-ol) which is obtained from sorbic acid by the action of lactic acid bacteria. Sorbyl alcohol and thus 2-ethoxy-hexa-3,5-diene are also formed in wines with bacterial spoilage. [Chisholm 1992]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"5352776","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3E)-5-ethoxyhexa-1,3-diene","traditional_iupac":"(3E)-5-ethoxyhexa-1,3-diene","logp":"2.1563979109999996","pka":null,"alogps_solubility":"2.80e-01 g/l","alogps_logp":"2.90","alogps_logs":"-2.65","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"9.23","refractivity":"41.6612","polarizability":"15.697241113823857","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.168089449065679","pka_strongest_acidic":null,"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":[],"proteins":[]}