1.02010-04-08 22:12:21 UTC2015-07-20 23:28:15 UTCFDB016292Maltol propionateFlavouring agent2-Methyl-3-(1-oxopropoxy)-4H-pyran-4-one4H-Pyran-4-one, 2-methyl-3-(1-oxopropoxy)-FEMA 3941Maltol propionateC9H10O4182.1733182.0579088082-methyl-4-oxo-4H-pyran-3-yl propanoate2-methyl-4-oxopyran-3-yl propanoate68555-63-5CCC(=O)OC1=C(C)OC=CC1=OInChI=1S/C9H10O4/c1-3-8(11)13-9-6(2)12-5-4-7(9)10/h4-5H,3H2,1-2H3NBKYPRRBTKRGLE-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone.Pyranones and derivativesOrganic compoundsOrganoheterocyclic compoundsPyransPyranones and derivativesAromatic heteromonocyclic compoundsCarboxylic acid estersCyclic ketonesHeteroaromatic compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsAromatic heteromonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCyclic ketoneHeteroaromatic compoundHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacyclePyranonelogp0.96logs-1.65solubility4.07e+00 g/llogp1.16pka_strongest_basic-5.3iupac2-methyl-4-oxo-4H-pyran-3-yl propanoateaverage_mass182.1733mono_mass182.057908808smilesCCC(=O)OC1=C(C)OC=CC1=OformulaC9H10O4inchiInChI=1S/C9H10O4/c1-3-8(11)13-9-6(2)12-5-4-7(9)10/h4-5H,3H2,1-2H3inchikeyNBKYPRRBTKRGLE-UHFFFAOYSA-Npolar_surface_area52.6refractivity47.5polarizability17.69rotatable_bond_count3acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::CMs11597Specdb::CMs162367Specdb::MsIr7485Specdb::NmrOneD139870Specdb::NmrOneD139871Specdb::NmrOneD139872Specdb::NmrOneD139873Specdb::NmrOneD139874Specdb::NmrOneD139875Specdb::NmrOneD139876Specdb::NmrOneD139877Specdb::NmrOneD139878Specdb::NmrOneD139879Specdb::NmrOneD139880Specdb::NmrOneD139881Specdb::NmrOneD139882Specdb::NmrOneD139883Specdb::NmrOneD139884Specdb::NmrOneD139885Specdb::NmrOneD139886Specdb::NmrOneD139887Specdb::NmrOneD139888Specdb::NmrOneD139889Specdb::MsMs66447Specdb::MsMs66448Specdb::MsMs66449Specdb::MsMs124014Specdb::MsMs124015Specdb::MsMs124016Specdb::MsMs2441182Specdb::MsMs2441183Specdb::MsMs2441184Specdb::MsMs2524587Specdb::MsMs2524588Specdb::MsMs2524589HMDB37274#<Reference:0x00005556761ad9a8>berrybreadycaramellicjammystrawberrysweet