1.0 2010-04-08 22:04:40 UTC 2019-11-26 02:55:15 UTC FDB000701 Ethyl undecanoate Ethyl undecanoate is a flavouring ingredient. It is found in coriander and alcoholic beverages such as rum, whisky and wine. Ethyl hendecanoate Ethyl n-undecanoate Ethyl undecanoate Ethyl undecylate FEMA 3492 N-undecanoic acid ethyl ester Undecanoic acid ethyl ester Undecanoic acid, ethyl ester C13H26O2 214.3443 214.193280076 ethyl undecanoate ethyl undecanoate 627-90-7 CCCCCCCCCCC(=O)OCC InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3 IAFQYUQIAOWKSB-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 Liquid logp 5.45 ALOGPS logs -4.95 ALOGPS solubility 2.42e-03 g/l ALOGPS melting_point -15 oC logp 4.54 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl undecanoate ChemAxon average_mass 214.3443 ChemAxon mono_mass 214.193280076 ChemAxon smiles CCCCCCCCCCC(=O)OCC ChemAxon formula C13H26O2 ChemAxon inchi InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3 ChemAxon inchikey IAFQYUQIAOWKSB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 63.6 ChemAxon polarizability 27.99 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2881 Specdb::CMs 29803 Specdb::CMs 100311 Specdb::CMs 162164 Specdb::MsMs 52962 Specdb::MsMs 52963 Specdb::MsMs 52964 Specdb::MsMs 119469 Specdb::MsMs 119470 Specdb::MsMs 119471 Specdb::MsMs 2341089 Specdb::MsMs 2341090 Specdb::MsMs 2341091 Specdb::MsMs 2594332 Specdb::MsMs 2594333 Specdb::MsMs 2594334 HMDB29552 #<Reference:0x000055ce307fcbb0> Alcoholic beverages Unknown generic Coriander Type 1 specific Coriandrum sativum 4047 Prickly pear Type 1 specific Opuntia 106975 coconut cognac fatty soapy waxy