1.02010-04-08 22:14:43 UTC2019-11-26 03:18:11 UTCFDB019969Isobutyl isobutyratePresent in apricot, banana, melon, strawberry and other fruitsand is) also present in olive, myrtle berry or leaf, hop oil and white wines. Flavouring agent. Isobutyl isobutyrate is found in many foods, some of which are roman camomile, fruits, alcoholic beverages, and sweet bay.2-Methyl-1-propyl 2-methylpropanoate2-Methylpropyl 2-methylpropanoate2-Methylpropyl 2-methylpropionate2-Methylpropyl isobutyrateFEMA 2189Isobutyl 2-methylpropanoateIsobutyl ester of 2-methylpropanoic acidIsobutyl isobutanoateIsobutyl isobutyrateIsobutyl isobutyrate [UN2528] [Flammable liquid]Isobutylester kyseliny isomaselneIsobutyric acid, isobutyl esterPropanoic acid, 2-methyl-, 2-methylpropyl esterC8H16O2144.2114144.1150297562-methylpropyl 2-methylpropanoateisobutyl isobutyrate97-85-8CC(C)COC(=O)C(C)CInChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3RXGUIWHIADMCFC-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 monoesterslogp2.56logs-1.87solubility1.96e+00 g/lmelting_pointMp -81°logp2.41pka_strongest_basic-7.1iupac2-methylpropyl 2-methylpropanoateaverage_mass144.2114mono_mass144.115029756smilesCC(C)COC(=O)C(C)CformulaC8H16O2inchiInChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3inchikeyRXGUIWHIADMCFC-UHFFFAOYSA-Npolar_surface_area26.3refractivity40.36polarizability17.12rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs15408Specdb::CMs27275Specdb::CMs28100Specdb::CMs28140Specdb::CMs28553Specdb::CMs102095Specdb::CMs102096Specdb::CMs102097Specdb::CMs102098Specdb::CMs172820Specdb::MsIr8846Specdb::MsIr8847Specdb::NmrOneD39322Specdb::NmrOneD39323Specdb::NmrOneD39324Specdb::NmrOneD39325Specdb::NmrOneD39326Specdb::NmrOneD39327Specdb::NmrOneD39328Specdb::NmrOneD39329Specdb::NmrOneD39330Specdb::NmrOneD39331Specdb::NmrOneD39332Specdb::NmrOneD39333Specdb::NmrOneD39334Specdb::NmrOneD39335Specdb::NmrOneD39336Specdb::NmrOneD39337Specdb::NmrOneD39338Specdb::NmrOneD39339Specdb::NmrOneD39340Specdb::NmrOneD39341Specdb::MsMs55353Specdb::MsMs55354Specdb::MsMs55355Specdb::MsMs110487Specdb::MsMs110488Specdb::MsMs110489Specdb::MsMs2264646Specdb::MsMs2264647Specdb::MsMs2264648Specdb::MsMs3073998Specdb::MsMs3073999Specdb::MsMs3074000HMDB40252#<Reference:0x0000555676267c68>Alcoholic beveragesUnknowngenericFruitsUnknowngenericRoman camomileType 1specificChamaemelum nobile99037Sweet bayType 1specificLaurus nobilis85223grape skinpineappletropical