{"ymdb_id":"YMDB01669","created_at":"2011-08-31T03:33:50.000Z","updated_at":"2016-09-08T18:36:58.000Z","name":"delta-Octalactone","cas":"698-76-0","state":null,"melting_point":null,"description":"delta-Octalactone is a compound with an odor described as sweet, coconut, creamy, coumarin and Iactonic with a green, fatty nuance. [Mosciano, Gerard P\u0026F 21, No. 3, 51, (1996)]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"12777","cs_id":"12252","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"6-propyloxan-2-one","traditional_iupac":"6-propyloxan-2-one","logp":"1.9777860553333335","pka":null,"alogps_solubility":"2.38e+00 g/l","alogps_logp":"2.08","alogps_logs":"-1.78","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"26.3","refractivity":"38.4529","polarizability":"16.187225391208205","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.041514602732156","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":["2H-Pyran-2-one, tetrahydro-6-propyl-","5-Hydroxyoctanoic acid \u0026laquo","5-Hydroxyoctanoic acid lactone","5-octanolide","6-Propyltetrahydro-2H-pyran-2-one","beta-Octalactone","tetrahydro-6-propyl-2H-pyran-2-one"],"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":[]}