1.0 2010-04-08 22:07:54 UTC 2020-09-17 15:35:30 UTC FDB008052 Methyl heptanoate Methyl 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 2705 Heptanoic acid methyl ester Heptanoic acid, methyl ester Methyl enanthate Methyl ester of heptanoic acid Methyl heptanoate Methyl heptoate Methyl heptylate Methyl n-heptanoate Methyl n-heptylate Methyl oenanthylate C8H16O2 144.2114 144.115029756 methyl heptanoate methyl heptanoate 106-73-0 CCCCCCC(=O)OC InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3 XNCNNDVCAUWAIT-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 esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid methyl ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.96 ALOGPS logs -2.37 ALOGPS solubility 6.22e-01 g/l ALOGPS melting_point Fp -55.8° logp 2.4 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl heptanoate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCCCCC(=O)OC ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3 ChemAxon inchikey XNCNNDVCAUWAIT-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.44 ChemAxon polarizability 17.47 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62916 Specdb::MsMs 62917 Specdb::MsMs 62918 Specdb::MsMs 119754 Specdb::MsMs 119755 Specdb::MsMs 119756 Specdb::MsMs 2270452 Specdb::MsMs 2270453 Specdb::MsMs 2270454 Specdb::MsMs 3067880 Specdb::MsMs 3067881 Specdb::MsMs 3067882 Specdb::MsIr 4489 Specdb::MsIr 4490 Specdb::CMs 15388 Specdb::CMs 28239 Specdb::CMs 28388 Specdb::CMs 100798 Specdb::CMs 100799 Specdb::CMs 134724 Specdb::CMs 142458 HMDB31478 #<Reference:0x000055ce32338168> Asian pear Type 1 specific Pyrus pyrifolia 3767 Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Pepper (Spice) Type 1 specific Piper nigrum 13216 berry floral fruit green orris sweet waxy