1.02010-04-08 22:11:35 UTC2018-05-29 01:16:16 UTCFDB0149854-Ethyloctanoic acidIt is used as a food additive FEMA 3800C10H20O2172.2646172.1463298844-ethyloctanoic acid4-ethyloctanoic acid16493-80-4CCCCC(CC)CCC(O)=OInChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)PWKJMPFEQOHBAC-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 acidsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugatesAliphatic acyclic compoundsBranched fatty acidsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundBranched fatty acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeMedium-chain fatty acidMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp3.75logs-3.13solubility1.29e-01 g/llogp3.43pka_strongest_acidic5.26iupac4-ethyloctanoic acidaverage_mass172.2646mono_mass172.146329884smilesCCCCC(CC)CCC(O)=OformulaC10H20O2inchiInChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)inchikeyPWKJMPFEQOHBAC-UHFFFAOYSA-Npolar_surface_area37.3refractivity49.43polarizability21.1rotatable_bond_count7acceptor_count2donor_count1physiological_charge-1formal_charge0Specdb::MsIr7116Specdb::MsIr7117Specdb::MsIr7118Specdb::CMs15421Specdb::CMs44744Specdb::CMs174251Specdb::MsMs62679Specdb::MsMs62680Specdb::MsMs62681Specdb::MsMs119454Specdb::MsMs119455Specdb::MsMs119456Specdb::MsMs2231862Specdb::MsMs2232313Specdb::MsMs2234743Specdb::MsMs2767643Specdb::MsMs2767644Specdb::MsMs2767645Specdb::MsMs2910947Specdb::MsMs2910948Specdb::MsMs2910949floralfruity