1.0 2010-04-08 22:04:40 UTC 2019-11-26 02:55:15 UTC FDB000700 Undecanoic acid Undecylic acid (systematically named undecanoic acid) is a flavouring ingredient. It is a naturally-occurring carboxylic acid with chemical formula CH3(CH2)9COOH (Wikipedia). Undecanoic acid is found in many foods, some of which are coconut, fruits, fats and oils, and rice. 1-Decanecarboxylate 1-Decanecarboxylic acid CH3-[CH2]9-COOH Decane-1-carboxylic acid FEMA 3245 Hendecanoate Hendecanoic acid N-Undecanoate N-Undecanoic acid N-Undecoate N-Undecoic acid N-Undecylate N-Undecylic acid UDA Undecanoate Undecoate Undecoic acid Undecylate Undecylic acid Undekansaeure C11H22O2 186.2912 186.161979948 undecanoic acid undecanoic acid 112-37-8 CCCCCCCCCCC(O)=O InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13) ZDPHROOEEOARMN-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Straight chain fatty acids Straight chain fatty acids medium-chain fatty acid straight-chain saturated fatty acid Solid logp 4.49 ALOGPS logs -3.91 ALOGPS solubility 2.28e-02 g/l ALOGPS melting_point Mp 28.2-28.6° logp 4.03 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac undecanoic acid ChemAxon average_mass 186.2912 ChemAxon mono_mass 186.161979948 ChemAxon smiles CCCCCCCCCCC(O)=O ChemAxon formula C11H22O2 ChemAxon inchi InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13) ChemAxon inchikey ZDPHROOEEOARMN-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 54.08 ChemAxon polarizability 23.73 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 856 Specdb::MsIr 984 Specdb::MsIr 985 Specdb::MsIr 986 Specdb::NmrTwoD 1558 Specdb::NmrOneD 1617 Specdb::NmrOneD 2160 Specdb::NmrOneD 2847 Specdb::NmrOneD 5089 Specdb::NmrOneD 5090 Specdb::MsMs 1342 Specdb::MsMs 1343 Specdb::MsMs 1344 Specdb::MsMs 4939 Specdb::MsMs 4940 Specdb::MsMs 4941 Specdb::MsMs 4942 Specdb::MsMs 4943 Specdb::MsMs 4944 Specdb::MsMs 179580 Specdb::MsMs 179581 Specdb::MsMs 179582 Specdb::MsMs 181911 Specdb::MsMs 181912 Specdb::MsMs 181913 Specdb::MsMs 285546 Specdb::MsMs 285547 Specdb::MsMs 285548 Specdb::MsMs 373916 Specdb::MsMs 373917 Specdb::MsMs 373918 Specdb::MsMs 438578 Specdb::MsMs 438579 Specdb::MsMs 438580 Specdb::MsMs 438581 Specdb::CMs 1246 Specdb::CMs 3146 Specdb::CMs 29474 Specdb::CMs 31266 Specdb::CMs 37858 Specdb::CMs 168141 Specdb::CMs 1082376 HMDB00947 32368 11A #<Reference:0x000055ce30f8f2d8> #<Reference:0x000055ce30f8f0f8> #<Reference:0x000055ce30f8eef0> #<Reference:0x000055ce30f8ed38> #<Reference:0x000055ce30f8eb30> #<Reference:0x000055ce30f8e978> #<Reference:0x000055ce30f8e540> #<Reference:0x000055ce30f8df78> #<Reference:0x000055ce30f8dd70> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 0.0 0.0 0.0 mg/100 g Bison Type 1 specific Bison bison 9901 Blackberry Type 1 specific Rubus Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Coconut Type 1 specific Cocos nucifera 13894 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Evergreen blackberry Type 1 specific Rubus laciniatus Fats and oils Unknown generic Fruits Unknown generic Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 0.1 0.1 0.1 mg/100 g Milk (Cow) Type 2 specific 0.464 0.516 0.38 uM Milk and milk products Unknown generic Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rice Type 1 specific Oryza sativa 4530 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 cheese coconut creamy fatty oil waxy