1.0 2011-09-21 00:19:50 UTC 2015-07-21 06:57:22 UTC FDB022802 Ethyladipic acid Adipic acid (IUPAC systematic name: hexanedioic acid) is a chemical compound of the class of carboxylic acids. Adipic acid is prepared from various fats using oxidation.By far the main use of adipic acid is as monomer for the production of nylon by a polycondensation reaction with hexamethylene diamine forming 6,6-nylon, the most common form of nylon. --Wikipedia [HMDB] 2-Ethyladipate 2-Ethyladipic acid Ethyladipate C8H14O4 174.1944 174.089208936 2-ethylhexanedioic acid ethyladipic acid 22935-13-3 CCC(CCCC(O)=O)C(O)=O InChI=1S/C8H14O4/c1-2-6(8(11)12)4-3-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12) FANBESOFXBDQSH-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 Dicarboxylic acids and derivatives Hydrocarbon derivatives Methyl-branched fatty acids Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Organic oxide Organic oxygen compound Organooxygen compound Dicarboxylic acids Solid logp 0.89 ALOGPS logs -1.27 ALOGPS solubility 9.34e+00 g/l ALOGPS logp 1.48 ChemAxon pka_strongest_acidic 4.13 ChemAxon iupac 2-ethylhexanedioic acid ChemAxon average_mass 174.1944 ChemAxon mono_mass 174.089208936 ChemAxon smiles CCC(CCCC(O)=O)C(O)=O ChemAxon formula C8H14O4 ChemAxon inchi InChI=1S/C8H14O4/c1-2-6(8(11)12)4-3-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12) ChemAxon inchikey FANBESOFXBDQSH-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 41.91 ChemAxon polarizability 17.92 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1535 Specdb::MsIr 1536 Specdb::MsIr 1537 Specdb::CMs 26309 Specdb::CMs 38228 Specdb::CMs 156324 Specdb::NmrOneD 148800 Specdb::NmrOneD 148801 Specdb::NmrOneD 148802 Specdb::NmrOneD 148803 Specdb::NmrOneD 148804 Specdb::NmrOneD 148805 Specdb::NmrOneD 148806 Specdb::NmrOneD 148807 Specdb::NmrOneD 148808 Specdb::NmrOneD 148809 Specdb::NmrOneD 148810 Specdb::NmrOneD 148811 Specdb::NmrOneD 148812 Specdb::NmrOneD 148813 Specdb::NmrOneD 148814 Specdb::NmrOneD 148815 Specdb::NmrOneD 148816 Specdb::NmrOneD 148817 Specdb::NmrOneD 148818 Specdb::NmrOneD 148819 Specdb::MsMs 324295 Specdb::MsMs 324296 Specdb::MsMs 324297 Specdb::MsMs 372673 Specdb::MsMs 372674 Specdb::MsMs 372675 Specdb::MsMs 2425759 Specdb::MsMs 2425760 Specdb::MsMs 2425761 Specdb::MsMs 2509111 Specdb::MsMs 2509112 Specdb::MsMs 2509113 HMDB02023 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columba 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 Animal Capra aegagrus hircus 9925 Domestic pig Type 1 Animal Sus scrofa domesticus 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus cuniculus 9984 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 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus hemionus 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 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