1.02010-04-08 22:04:49 UTC2019-11-26 02:55:53 UTCFDB001081Methyl (xi)-3-nonenoateIsolated from guava and hop oil. Flavouring ingredient. Methyl (xi)-3-nonenoate is found in fruits.3-Nonenoic acid, methyl esterFEMA 3710Methyl (xi)-3-nonenoateMethyl 3-nonenoateMethyl non-3-enoateC10H18O2170.2487170.13067982methyl (3Z)-non-3-enoatemethyl (3Z)-non-3-enoate13481-87-3CCCCC\C=C/CC(=O)OCInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3/b8-7-MTDCXFZGUVZRSQ-FPLPWBNLSA-N belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.Fatty acid methyl estersOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acid estersAliphatic acyclic compoundsCarbonyl compoundsHydrocarbon derivativesMethyl estersMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid methyl esterHydrocarbon derivativeMethyl esterMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundLiquidlogp3.90logs-3.32solubility8.07e-02 g/llogp2.93pka_strongest_basic-7.1iupacmethyl (3Z)-non-3-enoateaverage_mass170.2487mono_mass170.13067982smilesCCCCC\C=C/CC(=O)OCformulaC10H18O2inchiInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3/b8-7-inchikeyMTDCXFZGUVZRSQ-FPLPWBNLSA-Npolar_surface_area26.3refractivity50.76polarizability20.57rotatable_bond_count7acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs17972Specdb::CMs164721Specdb::MsIr3746Specdb::MsIr3747Specdb::MsMs305824Specdb::MsMs305825Specdb::MsMs305826Specdb::MsMs349312Specdb::MsMs349313Specdb::MsMs349314Specdb::MsMs2789485Specdb::MsMs2789486Specdb::MsMs2789487Specdb::MsMs2919719Specdb::MsMs2919720Specdb::MsMs2919721HMDB29859#<Reference:0x00005556748395f8>FruitsUnknowngenericfruitygreenmelonpearwatermelon