1.02010-04-08 22:13:26 UTC2019-11-26 03:15:31 UTCFDB017994Octyl formateOctyl formate is a fragrance and flavouring ingredient. It is found in Scotch spearmint oil and grilled or roast beef. It is also found in herbs and spices.1-Octyl formateFEMA 2809Formic acid, octyl esterN-octyl formateN-octyl methanoateOctyl alcohol, formateOctyl alcohol, formate (6CI)Octyl formateOctyl formiateOctyl methanoateC9H18O2158.238158.13067982octyl formateformic acid, octyl ester112-32-3CCCCCCCCOC=OInChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3AVBRYQRTMPHARE-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.Fatty alcohol estersOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty alcohol estersAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty alcohol esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundformate esterLiquidlogp3.82logs-3.38solubility6.59e-02 g/lmelting_point-39.1 oClogp2.98pka_strongest_basic-6.8iupacoctyl formateaverage_mass158.238mono_mass158.13067982smilesCCCCCCCCOC=OformulaC9H18O2inchiInChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3inchikeyAVBRYQRTMPHARE-UHFFFAOYSA-Npolar_surface_area26.3refractivity45.2polarizability19.61rotatable_bond_count8acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr7978Specdb::MsIr7979Specdb::CMs11810Specdb::CMs28339Specdb::CMs101980Specdb::CMs135648Specdb::CMs143382Specdb::MsMs66843Specdb::MsMs66844Specdb::MsMs66845Specdb::MsMs124518Specdb::MsMs124519Specdb::MsMs124520Specdb::MsMs2693054Specdb::MsMs2693055Specdb::MsMs2693056Specdb::MsMs2986009Specdb::MsMs2986010Specdb::MsMs2986011HMDB38603#<Reference:0x0000555674ced608>BlackberryType 1specificRubusHerbs and SpicesUnknowngenericcucumberfruityorangerosewaxy