1.0 2010-04-08 22:05:37 UTC 2019-11-26 02:58:21 UTC FDB003011 Methyl dodecanoate Found in concord grape (Vitis labrusca), melon, pineapple, heated blackberry, red chilli (Capsicum frutescens) and other fruitsand is also present in cheeses, hop oil, white wine, spirits and other foodstuffs. Flavouring agent. Dodecanoic acid, methyl ester FEMA 2715 Lauric acid methyl ester Lauric acid, methyl ester Metholene 2296 Methyl dodecanoate METHYL DODECANOATE, 99.8% Methyl dodecylate Methyl laurate Methyl laurinate Methyl n-dodecanoate Stepan C40 Uniphat A40 Uniphat A40 IN 511 C13H26O2 214.3443 214.193280076 methyl dodecanoate methyl laurate 111-82-0 CCCCCCCCCCCC(=O)OC InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3 UQDUPQYQJKYHQI-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 Wax monoesters fatty acid methyl ester laurate ester Liquid logp 5.51 ALOGPS logs -5.25 ALOGPS solubility 1.20e-03 g/l ALOGPS melting_point Mp 5° logp 4.62 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl dodecanoate ChemAxon average_mass 214.3443 ChemAxon mono_mass 214.193280076 ChemAxon smiles CCCCCCCCCCCC(=O)OC ChemAxon formula C13H26O2 ChemAxon inchi InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3 ChemAxon inchikey UQDUPQYQJKYHQI-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 63.45 ChemAxon polarizability 27.88 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 323012 Specdb::NmrOneD 323013 Specdb::NmrOneD 323014 Specdb::NmrOneD 323015 Specdb::NmrOneD 323016 Specdb::NmrOneD 323017 Specdb::NmrOneD 323018 Specdb::NmrOneD 323019 Specdb::NmrOneD 323020 Specdb::NmrOneD 323021 Specdb::NmrOneD 323022 Specdb::NmrOneD 323023 Specdb::NmrOneD 323024 Specdb::NmrOneD 323025 Specdb::NmrOneD 323026 Specdb::NmrOneD 323027 Specdb::NmrOneD 323028 Specdb::NmrOneD 323029 Specdb::NmrOneD 323030 Specdb::NmrOneD 323031 Specdb::EiMs 108 Specdb::CMs 1217 Specdb::CMs 2735 Specdb::CMs 28225 Specdb::CMs 28243 Specdb::CMs 28393 Specdb::CMs 29760 Specdb::CMs 29765 Specdb::CMs 31612 Specdb::CMs 32311 Specdb::CMs 167408 Specdb::MsMs 62100 Specdb::MsMs 62101 Specdb::MsMs 62102 Specdb::MsMs 118764 Specdb::MsMs 118765 Specdb::MsMs 118766 Specdb::MsMs 2658595 Specdb::MsMs 2658596 Specdb::MsMs 2658597 Specdb::MsMs 3050585 Specdb::MsMs 3050586 Specdb::MsMs 3050587 HMDB31018 #<Reference:0x000055ce3246e640> 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 Fats and oils Unknown generic Fruits Unknown generic Milk and milk products Unknown generic Pomes Unknown generic coconut creamy fat mushroom soapy waxy