1.02010-04-08 22:14:30 UTC2019-11-26 03:17:46 UTCFDB0196802-Acetyl-3,6-dimethylpyrazineComponent of coffee aroma. 2-Acetyl-3,6-dimethylpyrazine is found in coffee and coffee products.1-(3,6-Dimethyl-2-pyrazinyl)-ethanone1-(3,6-Dimethylpyrazinyl)-ethanone1-(3,6-Dimethylpyrazinyl)ethan-1-one1-(3,6-Dimethylpyrazinyl)ethanone, 9CIEthanone, 1-(3,6-dimethyl-2-pyrazinyl)-Ethanone, 1-(3,6-dimethylpyrazinyl)-Pyrazine, 2-acetyl-3,6-dimethylC8H10N2O150.1778150.0793129521-(3,6-dimethylpyrazin-2-yl)ethan-1-one1-(3,6-dimethylpyrazin-2-yl)ethanone54300-09-3CC(=O)C1=C(C)N=CC(C)=N1InChI=1S/C8H10N2O/c1-5-4-9-6(2)8(10-5)7(3)11/h4H,1-3H3JFUVDGXTDCVGHA-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 compoundPyrazinelogp0.81logs-0.92solubility1.80e+01 g/llogp-0.26pka_strongest_acidic14.67pka_strongest_basic0.41iupac1-(3,6-dimethylpyrazin-2-yl)ethan-1-oneaverage_mass150.1778mono_mass150.079312952smilesCC(=O)C1=C(C)N=CC(C)=N1formulaC8H10N2OinchiInChI=1S/C8H10N2O/c1-5-4-9-6(2)8(10-5)7(3)11/h4H,1-3H3inchikeyJFUVDGXTDCVGHA-UHFFFAOYSA-Npolar_surface_area42.85refractivity40.96polarizability16rotatable_bond_count1acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::CMs23183Specdb::CMs162949Specdb::MsIr8452Specdb::MsIr8453Specdb::MsMs363907Specdb::MsMs363908Specdb::MsMs363909Specdb::MsMs2494820Specdb::MsMs2494821Specdb::MsMs2494822Specdb::MsMs317434Specdb::MsMs317435Specdb::MsMs317436Specdb::MsMs2470311Specdb::MsMs2470312Specdb::MsMs2470313Specdb::NmrOneD37902Specdb::NmrOneD37903Specdb::NmrOneD37904Specdb::NmrOneD37905Specdb::NmrOneD37906Specdb::NmrOneD37907Specdb::NmrOneD37908Specdb::NmrOneD37909Specdb::NmrOneD37910Specdb::NmrOneD37911Specdb::NmrOneD37912Specdb::NmrOneD37913Specdb::NmrOneD37914Specdb::NmrOneD37915Specdb::NmrOneD37916Specdb::NmrOneD37917Specdb::NmrOneD37918Specdb::NmrOneD37919Specdb::NmrOneD37920Specdb::NmrOneD37921HMDB39998#<Reference:0x000055567454cf48>Arabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericRobusta coffeeType 1specificCoffea canephora49390hazelnutpopcornroasted