1.02010-04-08 22:09:56 UTC2019-11-26 03:05:56 UTCFDB0120072-Nonyl acetate2-nonyl acetate is a member of the class of compounds known as fatty alcohol esters. Fatty alcohol esters are ester derivatives of a fatty alcohol. 2-nonyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-nonyl acetate can be found in cloves, which makes 2-nonyl acetate a potential biomarker for the consumption of this food product. (±)-2-Nonyl acetate1-Methyloctyl acetate2-Nonyl acetateC11H22O2186.2912186.161979948nonan-2-yl acetatenonan-2-yl acetate14936-66-4CCCCCCCC(C)OC(C)=OInChI=1S/C11H22O2/c1-4-5-6-7-8-9-10(2)13-11(3)12/h10H,4-9H2,1-3H3GSUGVJOUDSLEBL-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 compoundlogp4.46logs-3.98solubility1.95e-02 g/llogp3.44pka_strongest_basic-7iupacnonan-2-yl acetateaverage_mass186.2912mono_mass186.161979948smilesCCCCCCCC(C)OC(C)=OformulaC11H22O2inchiInChI=1S/C11H22O2/c1-4-5-6-7-8-9-10(2)13-11(3)12/h10H,4-9H2,1-3H3inchikeyGSUGVJOUDSLEBL-UHFFFAOYSA-Npolar_surface_area26.3refractivity54.11polarizability23.34rotatable_bond_count8acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs78204Specdb::MsMs78205Specdb::MsMs78206Specdb::MsMs138495Specdb::MsMs138496Specdb::MsMs138497Specdb::MsMs3605290Specdb::MsMs3605291Specdb::MsMs3605292Specdb::MsMs3605293Specdb::MsMs3605294Specdb::MsMs3605295ClovesType 1specificSyzygium aromaticum2198680.10.10.1mg/100 g