{"ymdb_id":"YMDB01340","created_at":"2011-07-25T20:19:43.000Z","updated_at":"2016-09-08T18:36:33.000Z","name":"Decanal","cas":"112-31-2","state":"Liquid","melting_point":"-5 oC","description":"Decanal is an organic compound with the chemical formula C9H19CHO. It is the simplest ten-carbon aldehyde. Decanal occurs naturally and is used in fragrances and flavoring. Decanal occurs in nature and is an important component in citrus along with octanal, citral, and sinensal. Decanal is also an important component of buckwheat odour. [Wikipedia]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":"31457","hmdb_id":"HMDB11623","kegg_id":"C12307","pubchem_id":"8175","cs_id":"7883","foodb_id":null,"wikipedia_link":"Decanal","biocyc_id":"CPD-8490","iupac":"decanal","traditional_iupac":"decanal","logp":"3.4305545353333335","pka":null,"alogps_solubility":"7.72e-03 g/l","alogps_logp":"4.44","alogps_logs":"-4.31","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"8","polar_surface_area":"17.07","refractivity":"48.55219999999999","polarizability":"20.660760737103878","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.944305999531455","pka_strongest_acidic":"17.785514020424962","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Decanal","1-Decyl aldehyde","Aldehyde c10","C-10 Aldehyde","Capraldehyde","Capric aldehyde","Caprinaldehyde","Caprinic aldehyde","Decaldehyde","Decanal","Decanaldehyde","Decyl aldehyde","Decylic aldehyde","N-decaldehyde","N-decanal","N-decanal (capric aldehyde)","N-decyl aldehyde"],"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":[]}