1.0 2010-04-08 22:09:54 UTC 2019-11-26 03:05:48 UTC FDB011947 Ethyl dodecanoate Present in various fruits, eg. apple, apricot, guava, melon, etc.and is also present in wheatbread, crispbread, ginger, whisky, fruit brandies and wine. flavouring agent. Ethyl dodecanoate is found in many foods, some of which are cereals and cereal products, guava, alcoholic beverages, and pomes. Dodecanoic acid, ethyl ester Dodecanoic acid,ethyl ester Ethyl dodecanoate Ethyl dodecylate Ethyl ester dodecanoic acid Ethyl laurate Ethyl laurinate Ethyl n-dodecanoate Ethyl n-dodecanote Ethyllaurate FEMA 2441 Lauric acid ethyl ester Lauric acid, ethyl ester Lauric acid, ethyl ester (8CI) C14H28O2 228.3709 228.20893014 ethyl dodecanoate ethyl laurate 106-33-2 CCCCCCCCCCCC(=O)OCC InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3 MMXKVMNBHPAILY-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters fatty acid ethyl ester Liquid logp 5.95 ALOGPS logs -5.46 ALOGPS solubility 7.88e-04 g/l ALOGPS melting_point -10 oC logp 4.98 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl dodecanoate ChemAxon average_mass 228.3709 ChemAxon mono_mass 228.20893014 ChemAxon smiles CCCCCCCCCCCC(=O)OCC ChemAxon formula C14H28O2 ChemAxon inchi InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3 ChemAxon inchikey MMXKVMNBHPAILY-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 68.2 ChemAxon polarizability 29.97 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2620 Specdb::CMs 28394 Specdb::CMs 29759 Specdb::CMs 29764 Specdb::CMs 101401 Specdb::CMs 101402 Specdb::CMs 101403 Specdb::CMs 158408 Specdb::MsMs 81303 Specdb::MsMs 81304 Specdb::MsMs 81305 Specdb::MsMs 142383 Specdb::MsMs 142384 Specdb::MsMs 142385 Specdb::MsMs 2243449 Specdb::MsMs 2422677 Specdb::MsMs 2422678 Specdb::MsMs 2422679 Specdb::MsMs 2512857 Specdb::MsMs 2512858 Specdb::MsMs 2512859 Specdb::NmrOneD 4427 Specdb::NmrOneD 4545 Specdb::NmrOneD 295275 Specdb::NmrOneD 295276 Specdb::NmrOneD 295277 Specdb::NmrOneD 295278 Specdb::NmrOneD 295279 Specdb::NmrOneD 295280 Specdb::NmrOneD 295281 Specdb::NmrOneD 295282 Specdb::NmrOneD 295283 Specdb::NmrOneD 295284 Specdb::NmrOneD 295285 Specdb::NmrOneD 295286 Specdb::NmrOneD 295287 Specdb::NmrOneD 295288 Specdb::NmrOneD 295289 Specdb::NmrOneD 295290 Specdb::NmrOneD 295291 Specdb::NmrOneD 295292 Specdb::NmrOneD 295293 Specdb::NmrOneD 295294 HMDB33788 #<Reference:0x000055ce33239ea0> Alcoholic beverages Unknown generic Asian pear Type 1 specific Pyrus pyrifolia 3767 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 Guava Type 1 specific Psidium guajava 120290 Herbs and Spices Unknown generic Pomes Unknown generic Prickly pear Type 1 specific Opuntia 106975 Red wine Type 2 0.08845 0.08845 0.08845 mg/L Sweet marjoram Type 1 specific Origanum majorana 268884 White wine Type 2 0.0325 0.065 0.0 mg/100 g clean floral leaf soapy sweet waxy Calcium antagonist 748 Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances. Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.