1.02010-04-08 22:14:58 UTC2019-11-26 03:18:49 UTCFDB020361Isopropyl formateConstituent of coffee, plum brandy, various mushrooms and dwarf quince (Chaenomeles japonica). Isopropyl formate is found in many foods, some of which are fruits, alcoholic beverages, mushrooms, and coffee and coffee products.1-Methylethyl formateFEMA 2944Formic acid 1-methylethyl esterFormic acid isopropyl esterFormic acid, 1-methylethyl esterFormic acid, 2-propyl esterFormic acid, isopropyl esterHCOOCH(CH3)2Isopropyl formateIsopropyl methanoateMethylethyl formateC4H8O288.105188.0524295propan-2-yl formateisopropyl formate625-55-8CC(C)OC=OInChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3RMOUBSOVHSONPZ-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 compoundLiquidlogp0.84logs0.09solubility1.08e+02 g/lmelting_point-80 oClogp0.65pka_strongest_basic-6.8iupacpropan-2-yl formateaverage_mass88.1051mono_mass88.0524295smilesCC(C)OC=OformulaC4H8O2inchiInChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3inchikeyRMOUBSOVHSONPZ-UHFFFAOYSA-Npolar_surface_area26.3refractivity22.09polarizability9.13rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs17527Specdb::CMs28331Specdb::CMs29313Specdb::CMs102158Specdb::CMs102159Specdb::CMs137740Specdb::CMs145474Specdb::MsIr9012Specdb::MsIr9013Specdb::MsMs101016Specdb::MsMs101017Specdb::MsMs101018Specdb::MsMs166506Specdb::MsMs166507Specdb::MsMs166508Specdb::MsMs2294571Specdb::MsMs2294572Specdb::MsMs2294573Specdb::MsMs2641624Specdb::MsMs2641625Specdb::MsMs2641626HMDB40579#<Reference:0x00005556745b2f50>Alcoholic beveragesUnknowngenericArabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericCommon mushroomType 1specificAgaricus bisporus5341FruitsUnknowngenericMushroomsUnknowngenericOyster mushroomType 1specificPleurotus ostreatus5322Robusta coffeeType 1specificCoffea canephora49390cocoaetherealsolventtropical