{"ymdb_id":"YMDB01369","created_at":"2011-07-25T20:23:25.000Z","updated_at":"2016-09-08T18:36:36.000Z","name":"1,1-Diethoxy ethane","cas":"75-07-0","state":"Liquid","melting_point":"-123 oC","description":"Acetal (1,1-diethoxyethane) is a volatile compound found in wine and produced during fermentation. It is responsible for a biscuity or cookie like aromas.","experimental_water_solubility":"1000 mg/mL at 25 oC [RIDDICK,JA et al. (1986)]","experimental_logp_hydrophobicity":"-0.34 [TSCATS]","location":"extracellular","synthesis_reference":null,"chebi_id":"15343","hmdb_id":"HMDB00990","kegg_id":null,"pubchem_id":"7765","cs_id":"13835836","foodb_id":null,"wikipedia_link":"Acetaldehyde","biocyc_id":"ACETALD","iupac":"1,1-diethoxyethane","traditional_iupac":"1,1-diethoxyethane","logp":"1.130823662000001","pka":null,"alogps_solubility":"2.74e+01 g/l","alogps_logp":"1.19","alogps_logs":"-0.64","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"18.46","refractivity":"33.205","polarizability":"14.11460916267302","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.011967450020935","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":["1, 1-Diethoxyethane","1,1-Diaethoxy-aethan","1,1-Diethoxy-ethaan","1,1-Diethoxyacetal","1,1-Diethoxyethane","1,1-Dietossietano","Acetal","acetal (acetaldehyde diethyl acetal)","Acetaldehyde diethyl acetal","Acetaldehyde, diethyl acetal","Acetale","Acetol","AT-20GF","bimethyl","Cadco acetal","Capsicum annuum l","Diaethylacetal","diethoxy-1,1-ethane","Diethyl acetal","dimethyl","Ethan","ETHANE","Ethane, 1,1-diethoxy-","ethyl hydride","Ethylidene diethyl ether","Ethylidine diethyl ether","methylmethane"],"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":[]}