1.02010-04-08 22:14:30 UTC2019-11-26 03:17:47 UTCFDB0196812-Acetyl-3,5-dimethylpyrazineConstituent of wood smoke and coffee aroma. Component of *FEMA 3327*. 2-Acetyl-3,5-dimethylpyrazine is found in coffee and coffee products.1-(3,5-Dimethyl-2-pyrazinyl)-1-ethanone1-(3,5-Dimethyl-2-pyrazinyl)-ethanone1-(3,5-Dimethyl-2-pyrazinyl)ethanone1-(3,5-Dimethylpyrazinyl)-ethanone1-(3,5-Dimethylpyrazinyl)ethan-1-one1-(3,5-Dimethylpyrazinyl)ethanone, 9CI2-Acetyl-3,5(6)-dimethylpyrazineEthanone, 1-(3,5-dimethyl-2-pyrazinyl)-Ethanone, 1-(3,5-dimethylpyrazinyl)-Pyrazine, 2-acetyl-3,5-dimethylC8H10N2O150.1778150.0793129521-(3,5-dimethylpyrazin-2-yl)ethan-1-one1-(3,5-dimethylpyrazin-2-yl)ethanone54300-08-2CC(=O)C1=C(C)N=C(C)C=N1InChI=1S/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3UCGOSAWBWFUKDT-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 compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsPyrazinesAromatic heteromonocyclic compoundAryl alkyl ketoneAzacycleHeteroaromatic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganic oxideOrganoheterocyclic compoundOrganonitrogen compoundOrganopnictogen compoundPyrazinelogp0.82logs-0.94solubility1.73e+01 g/llogp-0.26pka_strongest_acidic14.85pka_strongest_basic1.2iupac1-(3,5-dimethylpyrazin-2-yl)ethan-1-oneaverage_mass150.1778mono_mass150.079312952smilesCC(=O)C1=C(C)N=C(C)C=N1formulaC8H10N2OinchiInChI=1S/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3inchikeyUCGOSAWBWFUKDT-UHFFFAOYSA-Npolar_surface_area42.85refractivity40.96polarizability16.07rotatable_bond_count1acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsIr8454Specdb::MsIr8455Specdb::CMs18906Specdb::CMs158938Specdb::MsMs308002Specdb::MsMs308003Specdb::MsMs308004Specdb::MsMs352081Specdb::MsMs352082Specdb::MsMs352083Specdb::MsMs2722560Specdb::MsMs2722561Specdb::MsMs2722562Specdb::MsMs2960115Specdb::MsMs2960116Specdb::MsMs2960117Specdb::NmrOneD37922Specdb::NmrOneD37923Specdb::NmrOneD37924Specdb::NmrOneD37925Specdb::NmrOneD37926Specdb::NmrOneD37927Specdb::NmrOneD37928Specdb::NmrOneD37929Specdb::NmrOneD37930Specdb::NmrOneD37931Specdb::NmrOneD37932Specdb::NmrOneD37933Specdb::NmrOneD37934Specdb::NmrOneD37935Specdb::NmrOneD37936Specdb::NmrOneD37937Specdb::NmrOneD37938Specdb::NmrOneD37939Specdb::NmrOneD37940Specdb::NmrOneD37941HMDB39999#<Reference:0x00005556759c6730>Arabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericRobusta coffeeType 1specificCoffea canephora49390caramelhazelnutnuttyroasted