1.02010-04-08 22:08:58 UTC2018-05-28 23:27:02 UTCFDB010137Prenyl isobutyrateIt is used as a food additive .3-Methylbut-2-enyl isobutyratePropanoic acid, 2-methyl-, 3-methyl-2-buten-1-yl esterPropanoic acid, 2-methyl-, 3-methyl-2-butenyl esterC9H16O2156.2221156.1150297563-methylbut-2-en-1-yl 2-methylpropanoate3-methylbut-2-en-1-yl 2-methylpropanoate76649-23-5CC(C)C(=O)OCC=C(C)CInChI=1S/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h5,8H,6H2,1-4H3YSJHMPXIMIOXGU-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 compoundlogp2.96logs-1.56solubility4.34e+00 g/llogp2.53pka_strongest_basic-7.1iupac3-methylbut-2-en-1-yl 2-methylpropanoateaverage_mass156.2221mono_mass156.115029756smilesCC(C)C(=O)OCC=C(C)CformulaC9H16O2inchiInChI=1S/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h5,8H,6H2,1-4H3inchikeyYSJHMPXIMIOXGU-UHFFFAOYSA-Npolar_surface_area26.3refractivity45.73polarizability18.58rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr5478Specdb::MsIr5479Specdb::CMs17294Specdb::CMs150624Specdb::NmrOneD113678Specdb::NmrOneD113679Specdb::NmrOneD113680Specdb::NmrOneD113681Specdb::NmrOneD113682Specdb::NmrOneD113683Specdb::NmrOneD113684Specdb::NmrOneD113685Specdb::NmrOneD113686Specdb::NmrOneD113687Specdb::NmrOneD113688Specdb::NmrOneD113689Specdb::NmrOneD113690Specdb::NmrOneD113691Specdb::NmrOneD113692Specdb::NmrOneD113693Specdb::NmrOneD113694Specdb::NmrOneD113695Specdb::NmrOneD113696Specdb::NmrOneD113697Specdb::MsMs88221Specdb::MsMs88222Specdb::MsMs88223Specdb::MsMs150912Specdb::MsMs150913Specdb::MsMs150914Specdb::MsMs2416507Specdb::MsMs2416508Specdb::MsMs2416509Specdb::MsMs2548762Specdb::MsMs2548763Specdb::MsMs2548764HMDB32491206353#<Reference:0x00005556761e5790>berrybutterfruity