1.02010-04-08 22:07:54 UTC2020-09-17 15:35:30 UTCFDB008052Methyl heptanoateMethyl heptanoate 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 esters are used to produce detergents and biodiesel. In fact, most of the molecules in biodiesel are fatty acid methyl esters, usually obtained from vegetable oils by transesterification. Methyl heptanoate is a very hydrophobic molecule, practically insoluble in water. Methyl heptanoate is a sweet, berry, and floral tasting compound. Methyl heptanoate has been detected in several different foods, such as asian pears, evergreen blackberries, pepper (C. frutescens), and pepper (spice).FEMA 2705Heptanoic acid methyl esterHeptanoic acid, methyl esterMethyl enanthateMethyl ester of heptanoic acidMethyl heptanoateMethyl heptoateMethyl heptylateMethyl n-heptanoateMethyl n-heptylateMethyl oenanthylateC8H16O2144.2114144.115029756methyl heptanoatemethyl heptanoate106-73-0CCCCCCC(=O)OCInChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3XNCNNDVCAUWAIT-UHFFFAOYSA-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 compoundlogp2.96logs-2.37solubility6.22e-01 g/lmelting_pointFp -55.8°logp2.4pka_strongest_basic-7iupacmethyl heptanoateaverage_mass144.2114mono_mass144.115029756smilesCCCCCCC(=O)OCformulaC8H16O2inchiInChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3inchikeyXNCNNDVCAUWAIT-UHFFFAOYSA-Npolar_surface_area26.3refractivity40.44polarizability17.47rotatable_bond_count6acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr4489Specdb::MsIr4490Specdb::CMs15388Specdb::CMs28239Specdb::CMs28388Specdb::CMs100798Specdb::CMs100799Specdb::CMs134724Specdb::CMs142458Specdb::MsMs62916Specdb::MsMs62917Specdb::MsMs62918Specdb::MsMs119754Specdb::MsMs119755Specdb::MsMs119756Specdb::MsMs2270452Specdb::MsMs2270453Specdb::MsMs2270454Specdb::MsMs3067880Specdb::MsMs3067881Specdb::MsMs3067882HMDB31478#<Reference:0x00005556761ebcd0>Asian pearType 1specificPyrus pyrifolia3767BlackberryType 1specificRubusEvergreen blackberryType 1specificRubus laciniatusPepper (C. frutescens)Type 1specificCapsicum annuum var. annuum40321Pepper (Spice)Type 1specificPiper nigrum13216berryfloralfruitgreenorrissweetwaxy