1.02010-04-08 22:05:19 UTC2019-11-26 02:57:18 UTCFDB002294Linalyl caprylateLinalyl caprylate is used in perfumery and food flavouring. It is found in herbs and spices, such as lemongrass.1-Ethenyl-1,5-dimethyl-4-hexenyl octanoate1,5-Dimethyl-1-vinyl-4-hexenyl octanoate3,7-Dimethyl-1,6-octadien-3-yl octanoateFEMA 2644Linalyl caprylateLinalyl octanoateLinalyl octoateOctanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl esterOctanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl esterOctanoic acid, 1,5-dimethyl-1-vinyl-4-hexenyl esterC18H32O2280.4455280.2402302683,7-dimethylocta-1,6-dien-3-yl octanoate3,7-dimethylocta-1,6-dien-3-yl octanoate10024-64-3CCCCCCCC(=O)OC(C)(CCC=C(C)C)C=CInChI=1S/C18H32O2/c1-6-8-9-10-11-14-17(19)20-18(5,7-2)15-12-13-16(3)4/h7,13H,2,6,8-12,14-15H2,1,3-5H3OJKMRECJBIPPRG-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.Acyclic monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAcyclic monoterpenoidAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterFatty acylHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundLiquidlogp6.02logs-5.59solubility7.17e-04 g/llogp6.01pka_strongest_basic-7.1iupac3,7-dimethylocta-1,6-dien-3-yl octanoateaverage_mass280.4455mono_mass280.240230268smilesCCCCCCCC(=O)OC(C)(CCC=C(C)C)C=CformulaC18H32O2inchiInChI=1S/C18H32O2/c1-6-8-9-10-11-14-17(19)20-18(5,7-2)15-12-13-16(3)4/h7,13H,2,6,8-12,14-15H2,1,3-5H3inchikeyOJKMRECJBIPPRG-UHFFFAOYSA-Npolar_surface_area26.3refractivity86.99polarizability35.47rotatable_bond_count12acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs17571Specdb::CMs159292Specdb::MsMs90240Specdb::MsMs90241Specdb::MsMs90242Specdb::MsMs153345Specdb::MsMs153346Specdb::MsMs153347Specdb::MsMs2453470Specdb::MsMs2453471Specdb::MsMs2453472Specdb::MsMs2484672Specdb::MsMs2484673Specdb::MsMs2484674HMDB30430#<Reference:0x00005556701777f0>Herbs and SpicesUnknowngenericdryfruitygreenherbalnaturalsweet