{"ymdb_id":"YMDB01371","created_at":"2011-07-25T20:23:40.000Z","updated_at":"2016-09-08T18:36:36.000Z","name":"3,7-Dimethyl-1,6-octadien-3-ol","cas":"78-70-6","state":"Solid","melting_point":"\u003c25 oC","description":"Linalool is a naturally occurring terpene alcohol chemical found in many flowers and spice plants with many commercial applications, the majority of which are based on its pleasant scent (floral, with a touch of spiciness). It has other names such as β-linalool, linalyl alcohol, linaloyl oxide, p-linalool, allo-ocimenol, and 2,6-dimethyl-2,7-octadien-6-ol. [Wikipedia]","experimental_water_solubility":"1.59 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"2.97 [LI,J \u0026 PERDUE,EM (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":"17580","hmdb_id":null,"kegg_id":"C03985","pubchem_id":"6549","cs_id":"13849981","foodb_id":null,"wikipedia_link":"Linalool","biocyc_id":null,"iupac":"3,7-dimethylocta-1,6-dien-3-ol","traditional_iupac":"linalool, (+-)-","logp":"2.647492452666667","pka":null,"alogps_solubility":"4.76e-01 g/l","alogps_logp":"2.68","alogps_logs":"-2.51","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"4","polar_surface_area":"20.23","refractivity":"50.2066","polarizability":"19.313446170105586","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.2856635235681075","pka_strongest_acidic":"18.459388377759243","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1, 6-Octadien-3-ol, 3,7-dimethyl-, (-)-","1,6-Octadien-3-ol, 3,7-dimethyl-","2,6-Dimethyl-2, 7-octadiene-6-ol","2,6-Dimethyl-2,7-octadien-6-ol","2,6-dimethyl-2,7-octadien-6-ol (linalool)","2,6-Dimethyl-2,7-octadiene-6-ol","2,6-dimethylocta-2,7-dien-6-ol","3,7-Dimethyl-1, 6-octadien-3-ol","3,7-dimethyl-1,6-octadien-3-ol (linalool)","3,7-dimethyl-1,6-octandien-3-ol (linalool)","3,7-Dimethylocta-1,6-dien-3-ol","3,7-dimethylocta-1,6-dien-3-ol (linalool)","allo-Ocimenol","b-Linalool","beta-Linalool","dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene","Linalol","Linalool","Linalool ex bois de rose oil","Linalool ex ho oil","Linalool ex orange oil","Linaloyl oxide","Linalyl alcohol","Linanool","p-Linalool","Phantol"],"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":[]}