1.0 2010-04-08 22:05:45 UTC 2019-11-26 02:58:52 UTC FDB003305 Methyl nonanoate Flavouring ingredient. Isolated from cloves, hops, hyssop oil, vanilla and some wines. Methyl nonanoate is found in many foods, some of which are cereals and cereal products, fruits, herbs and spices, and alcoholic beverages. FEMA 2724 Methyl ester nonanoate Methyl ester nonanoic acid Methyl n-nonanoate Methyl N-nonanoic acid Methyl nonanoate Methyl nonylate Methyl nonylic acid Methyl pelargonate Methyl pelargonic acid Nonanoic acid methyl ester Pelargonate methyl ester Pelargonic acid methyl ester C10H20O2 172.2646 172.146329884 methyl nonanoate methyl nonanoate (ester) 1731-84-6 CCCCCCCCC(=O)OC InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3 IJXHLVMUNBOGRR-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 fatty acid methyl ester Liquid logp 3.96 ALOGPS logs -3.58 ALOGPS solubility 4.55e-02 g/l ALOGPS melting_point Mp -35° logp 3.29 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl nonanoate ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CCCCCCCCC(=O)OC ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3 ChemAxon inchikey IJXHLVMUNBOGRR-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 49.65 ChemAxon polarizability 21.67 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4580 Specdb::MsIr 4279 Specdb::MsIr 4280 Specdb::CMs 975 Specdb::CMs 3039 Specdb::CMs 28241 Specdb::CMs 28575 Specdb::CMs 31613 Specdb::CMs 32309 Specdb::CMs 135130 Specdb::CMs 142864 Specdb::MsMs 87762 Specdb::MsMs 87763 Specdb::MsMs 87764 Specdb::MsMs 150333 Specdb::MsMs 150334 Specdb::MsMs 150335 Specdb::MsMs 2381012 Specdb::MsMs 2381013 Specdb::MsMs 2381014 Specdb::MsMs 2558445 Specdb::MsMs 2558446 Specdb::MsMs 2558447 HMDB31264 NON #<Reference:0x000055ce331711a8> Alcoholic beverages Unknown generic Blackberry Type 1 specific Rubus Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Herbs and Spices Unknown generic coconut fruity pear sweet tropical waxy wine