1.02010-04-08 22:10:43 UTC2019-11-26 03:08:26 UTCFDB0134522-Acetyl-3-methylfuranPresent in oils of Perilla frutescens and Elsholtzia ciliata and sesame oil. 2-Acetyl-3-methylfuran is found in fats and oils.1-(3-Methyl-2-furanyl)ethanone, 9CIMethyl (3-methyl-2-furyl) ketone, 8CIC7H8O2124.1372124.05242951-(3-methylfuran-2-yl)ethan-1-one1-(3-methylfuran-2-yl)ethanone13101-45-6CC(=O)C1=C(C)C=CO1InChI=1S/C7H8O2/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3RJBGVAIXGHZIDY-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.Aryl alkyl ketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAromatic heteromonocyclic compoundsFuransHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOxacyclic compoundsAromatic heteromonocyclic compoundAryl alkyl ketoneFuranHeteroaromatic compoundHydrocarbon derivativeOrganic oxideOrganoheterocyclic compoundOxacyclelogp0.94logs-1.06solubility1.07e+01 g/llogp1.1pka_strongest_acidic14.64pka_strongest_basic-3.5iupac1-(3-methylfuran-2-yl)ethan-1-oneaverage_mass124.1372mono_mass124.0524295smilesCC(=O)C1=C(C)C=CO1formulaC7H8O2inchiInChI=1S/C7H8O2/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3inchikeyRJBGVAIXGHZIDY-UHFFFAOYSA-Npolar_surface_area30.21refractivity33.89polarizability12.9rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs15975Specdb::CMs153542Specdb::MsIr6709Specdb::MsIr6710Specdb::MsMs81795Specdb::MsMs81796Specdb::MsMs81797Specdb::MsMs142998Specdb::MsMs142999Specdb::MsMs143000Specdb::MsMs2689682Specdb::MsMs2689683Specdb::MsMs2689684Specdb::MsMs2988956Specdb::MsMs2988957Specdb::MsMs2988958Specdb::NmrOneD128028Specdb::NmrOneD128029Specdb::NmrOneD128030Specdb::NmrOneD128031Specdb::NmrOneD128032Specdb::NmrOneD128033Specdb::NmrOneD128034Specdb::NmrOneD128035Specdb::NmrOneD128036Specdb::NmrOneD128037Specdb::NmrOneD128038Specdb::NmrOneD128039Specdb::NmrOneD128040Specdb::NmrOneD128041Specdb::NmrOneD128042Specdb::NmrOneD128043Specdb::NmrOneD128044Specdb::NmrOneD128045Specdb::NmrOneD128046Specdb::NmrOneD128047HMDB34877#<Reference:0x00005556735dbf50>Fats and oilsUnknowngeneric