{"ymdb_id":"YMDB01728","created_at":"2011-08-31T03:40:01.000Z","updated_at":"2016-09-08T18:37:03.000Z","name":"Linalool acetate","cas":"115-95-7","state":"Solid","melting_point":"\u003c 25 oC","description":"Linalyl acetate is the acetate ester of linalool. It is a naturally occurring phytochemical found in many flowers and spice plants. It is one of the principal components of the essential oils of bergamot and lavender.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"3.93 [GRIFFIN,S ET AL. (1999)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":"C09863","pubchem_id":"8294","cs_id":"13850082","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3,7-dimethylocta-1,6-dien-3-yl acetate","traditional_iupac":"linalyl acetate","logp":"3.088617863","pka":null,"alogps_solubility":"6.09e-02 g/l","alogps_logp":"4.03","alogps_logs":"-3.51","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"6","polar_surface_area":"26.3","refractivity":"59.35810000000001","polarizability":"23.206721564268072","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.02149057526329","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["1,5-Dimethyl-1-vinyl-4-hexenyl acetate","1,6-Octadien-3-ol, 3, 7-dimethyl-, acetate","3,7-Dimethyl-1,6-octadien-3-ol acetate","3,7-Dimethyl-1,6-octadien-3-yl acetate","ACETATE ION","Acetic acid linalool ester","acetic acid, ion(1-)","Azetat","Bergamiol","Bergamol","Bergamot mint oil","Ethanoat","ethanoate","Licareol acetate","Linalol acetate","Linalool acetate","Linalyl acetate","Lynalyl acetate","MeCO2 anion","Phanteine"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}