1.02010-04-08 22:10:14 UTC2019-11-26 03:07:02 UTCFDB0125512-Methylpropyl propanoateFlavouring ingredient2-Methyl-1-propyl propanoate2-Methylpropyl propanoate2-Methylpropyl propionateCyclopropyl methyl etherFEMA 2212Iso-butyl n-propionateIsobutyl ester of propanoic acidIsobutyl propanoateIsobutyl propionateIsobutyl propionate [UN2394] [Flammable liquid]Propanoic acid, 2-methylpropyl esterPropionic acid, isobutyl esterC7H14O2130.1849130.0993796922-methylpropyl propanoate2-methylpropyl propanoate540-42-1CCC(=O)OCC(C)CInChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3FZXRXKLUIMKDEL-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).Carboxylic acid estersOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivativesAliphatic acyclic compoundsCarbonyl compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundWax monoestersLiquidlogp2.22logs-1.53solubility3.88e+00 g/lmelting_point-71.4 oClogp1.87pka_strongest_basic-7iupac2-methylpropyl propanoateaverage_mass130.1849mono_mass130.099379692smilesCCC(=O)OCC(C)CformulaC7H14O2inchiInChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3inchikeyFZXRXKLUIMKDEL-UHFFFAOYSA-Npolar_surface_area26.3refractivity35.78polarizability15.2rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr6510Specdb::MsIr6511Specdb::CMs22636Specdb::CMs27032Specdb::CMs28089Specdb::CMs28130Specdb::CMs28286Specdb::CMs101580Specdb::CMs101581Specdb::CMs101582Specdb::CMs101583Specdb::CMs132734Specdb::CMs140468Specdb::NmrOneD125158Specdb::NmrOneD125159Specdb::NmrOneD125160Specdb::NmrOneD125161Specdb::NmrOneD125162Specdb::NmrOneD125163Specdb::NmrOneD125164Specdb::NmrOneD125165Specdb::NmrOneD125166Specdb::NmrOneD125167Specdb::NmrOneD125168Specdb::NmrOneD125169Specdb::NmrOneD125170Specdb::NmrOneD125171Specdb::NmrOneD125172Specdb::NmrOneD125173Specdb::NmrOneD125174Specdb::NmrOneD125175Specdb::NmrOneD125176Specdb::NmrOneD125177Specdb::MsMs42894Specdb::MsMs42895Specdb::MsMs42896Specdb::MsMs144870Specdb::MsMs144871Specdb::MsMs144872Specdb::MsMs2728219Specdb::MsMs2728220Specdb::MsMs2728221Specdb::MsMs2980709Specdb::MsMs2980710Specdb::MsMs2980711HMDB34239#<Reference:0x000055567326f060>AppleType 1specificMalus pumila283210bananabitteretherfruitygreensweettutti frutti