1.02010-04-08 22:08:18 UTC2018-05-28 23:20:22 UTCFDB0088924-Acetyl-2,5-dimethyl-3(2H)-furanoneIt is used as a food additive .C8H10O3154.165154.0629941824-acetyl-2,5-dimethyl-2,3-dihydrofuran-3-one4-acetyl-2,5-dimethyl-2H-furan-3-one36871-78-0CC1OC(C)=C(C(C)=O)C1=OInChI=1S/C8H10O3/c1-4(9)7-5(2)11-6(3)8(7)10/h6H,1-3H3PAQLUNHARDKSPD-UHFFFAOYSA-N belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group.FuranonesOrganic compoundsOrganoheterocyclic compoundsDihydrofuransFuranonesAliphatic heteromonocyclic compoundsCyclic ketonesHydrocarbon derivativesOrganic oxidesOxacyclic compoundsVinylogous esters3-furanoneAliphatic heteromonocyclic compoundCarbonyl groupCyclic ketoneHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleVinylogous esterlogp0.82logs-0.38solubility6.45e+01 g/llogp0.64pka_strongest_acidic8.84pka_strongest_basic-4.9iupac4-acetyl-2,5-dimethyl-2,3-dihydrofuran-3-oneaverage_mass154.165mono_mass154.062994182smilesCC1OC(C)=C(C(C)=O)C1=OformulaC8H10O3inchiInChI=1S/C8H10O3/c1-4(9)7-5(2)11-6(3)8(7)10/h6H,1-3H3inchikeyPAQLUNHARDKSPD-UHFFFAOYSA-Npolar_surface_area43.37refractivity40.95polarizability15.64rotatable_bond_count1acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsMs56877Specdb::MsMs56878Specdb::MsMs56879Specdb::MsMs112410Specdb::MsMs112411Specdb::MsMs112412Specdb::MsMs3604801Specdb::MsMs3604802Specdb::MsMs3604803Specdb::MsMs3604804Specdb::MsMs3604805Specdb::MsMs3604806caramellic