{"ymdb_id":"YMDB01326","created_at":"2011-07-25T20:17:52.000Z","updated_at":"2016-09-08T18:36:32.000Z","name":"Phenyl methanal","cas":"100-52-7","state":"Liquid","melting_point":"-26 oC","description":"Phenyl methanal is a volatile compound found in wine and produced during fermentation. It is responsible for almond or bitter almond aromas.","experimental_water_solubility":"6.95 mg/mL at 25 oC [YALKOWSKY,SH \u0026 HE,Y (2003)]","experimental_logp_hydrophobicity":"1.48 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":"Oxidation products of aromatic hydrocarbons with methyl groups, substituting methyl groups or their derivatives.    (1903),     DE  175295  19030730  CAN 1:4512  AN 1907:4512   ","chebi_id":"17169","hmdb_id":"HMDB06115","kegg_id":"C00261","pubchem_id":"240","cs_id":"235","foodb_id":null,"wikipedia_link":"Benzaldehyde","biocyc_id":"CPD-1131","iupac":"benzaldehyde","traditional_iupac":"benzaldehyde","logp":"1.6857481606666664","pka":null,"alogps_solubility":"5.44e+00 g/l","alogps_logp":"1.60","alogps_logs":"-1.29","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"32.641999999999996","polarizability":"11.01681252528575","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.111326959702501","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["Almond artificial essential oil","Artifical essential oil of almond","Artificial Almond Oil","Artificial bitter almond oil","Artificial essential oil of almond","Benzadehyde","Benzaldehyde","Benzaldehyde FFC","Benzanoaldehyde","Benzene carbaldehyde","Benzene carboxaldehyde","Benzene methylal","Benzenecarbonal","Benzenecarboxaldehyde","Benzenemethylal","Benzoate","Benzoic acid","Benzoic acid aldehyde","Benzoic aldehyde","Benzoyl hydride","Benzyaldehyde","Benzylaldehyde","BEZ","Ethereal oil of bitter almonds","Oil of bitter almond","Phenylformaldehyde","Phenylmethanal","Phenylmethanal benzenecarboxaldehyde","Synthetic oil of bitter almond"],"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."},{"pubmed_id":1761208,"citation":"Kogan, G. L., Filipp, D., Arman, I. P., Leibovich, B. A., Beliaeva, E. S. (1991). \"[Cloning of segments of the Drosophila melanogaster genome using artificial chromosomes of the yeast Saccharomyces cerevisiae].\" Genetika 27:1316-1323."}],"proteins":[]}