1.02010-04-08 22:07:59 UTC2018-05-28 23:17:26 UTCFDB0082242-Methylhexanoic acidIt is used as a food additive .α-Methylcaproic acid2-Methylcaproic acid2-Methylhexanoic acidalpha-Methylcaproic acidFEMA 3191Hexane-2-carboxylic acidHexanoic acid, 2-methyl-C7H14O2130.1849130.0993796922-methylhexanoic acid2-methylhexanoic acid4536-23-6CCCCC(C)C(O)=OInChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)CVKMFSAVYPAZTQ-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 compoundsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMethyl-branched fatty acidsMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundBranched fatty acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeMedium-chain fatty acidMethyl-branched fatty acidMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundBranched fatty acidslogp2.20logs-1.42solubility4.92e+00 g/llogp2.35pka_strongest_acidic5.1iupac2-methylhexanoic acidaverage_mass130.1849mono_mass130.099379692smilesCCCCC(C)C(O)=OformulaC7H14O2inchiInChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)inchikeyCVKMFSAVYPAZTQ-UHFFFAOYSA-Npolar_surface_area37.3refractivity35.65polarizability15rotatable_bond_count4acceptor_count2donor_count1physiological_charge-1formal_charge0Specdb::CMs18989Specdb::CMs29466Specdb::CMs42542Specdb::CMs100876Specdb::CMs150189Specdb::MsIr4691Specdb::MsIr4692Specdb::MsIr4693Specdb::NmrOneD164829Specdb::NmrOneD164830Specdb::NmrOneD164831Specdb::NmrOneD164832Specdb::NmrOneD164833Specdb::NmrOneD164834Specdb::NmrOneD164835Specdb::NmrOneD164836Specdb::NmrOneD164837Specdb::NmrOneD164838Specdb::NmrOneD164839Specdb::NmrOneD164840Specdb::NmrOneD164841Specdb::NmrOneD164842Specdb::NmrOneD164843Specdb::NmrOneD164844Specdb::NmrOneD164845Specdb::NmrOneD164846Specdb::NmrOneD164847Specdb::NmrOneD164848Specdb::MsMs50493Specdb::MsMs50494Specdb::MsMs50495Specdb::MsMs118869Specdb::MsMs118870Specdb::MsMs118871Specdb::MsMs2273148Specdb::MsMs2273149Specdb::MsMs2273150Specdb::MsMs3069192Specdb::MsMs3069193Specdb::MsMs3069194cheesefattyfruitylardoily