1.0 2010-04-08 22:08:08 UTC 2025-11-18 23:11:31 UTC FDB008545 2-Acetylpyrazine Flavouring ingredient. Component of roasted sesame seed aroma 1-(2-Pyrazinyl)-ethanone 1-(2-Pyrazinyl)ethanone 1-Pyrazin-2-ylethan-1-one 1-Pyrazinyl-ethanone 1-Pyrazinylethanone Acetylpyrazine Ethanone, 1-(2-pyrazinyl)- Ethanone, 1-pyrazinyl- Ethanone, l-pyrazinyl- FEMA 3126 Ketone, methyl pyrazinyl L-Pyrazinyl-ethanone Methyl pyrazinyl ketone Pyrazin-1-ylethan-1-one Pyrazine der. C6H6N2O 122.1246 122.048012824 1-(pyrazin-2-yl)ethan-1-one acetylpyrazine 22047-25-2 CC(=O)C1=CN=CC=N1 InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3 DBZAKQWXICEWNW-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 ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrazines Aromatic heteromonocyclic compound Aryl alkyl ketone Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrazine logp -0.15 ALOGPS logs -0.07 ALOGPS solubility 1.05e+02 g/l ALOGPS melting_point Mp 75-77° logp -0.52 ChemAxon pka_strongest_acidic 14.43 ChemAxon pka_strongest_basic -0.45 ChemAxon iupac 1-(pyrazin-2-yl)ethan-1-one ChemAxon average_mass 122.1246 ChemAxon mono_mass 122.048012824 ChemAxon smiles CC(=O)C1=CN=CC=N1 ChemAxon formula C6H6N2O ChemAxon inchi InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3 ChemAxon inchikey DBZAKQWXICEWNW-UHFFFAOYSA-N ChemAxon polar_surface_area 42.85 ChemAxon refractivity 31.78 ChemAxon polarizability 11.81 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4972 Specdb::MsIr 4973 Specdb::CMs 10844 Specdb::CMs 148494 Specdb::MsMs 47865 Specdb::MsMs 47866 Specdb::MsMs 47867 Specdb::MsMs 174213 Specdb::MsMs 174214 Specdb::MsMs 174215 Specdb::MsMs 2337499 Specdb::MsMs 2337500 Specdb::MsMs 2337501 Specdb::MsMs 2629157 Specdb::MsMs 2629158 Specdb::MsMs 2629159 Specdb::NmrOneD 165849 Specdb::NmrOneD 165850 Specdb::NmrOneD 165851 Specdb::NmrOneD 165852 Specdb::NmrOneD 165853 Specdb::NmrOneD 165854 Specdb::NmrOneD 165855 Specdb::NmrOneD 165856 Specdb::NmrOneD 165857 Specdb::NmrOneD 165858 Specdb::NmrOneD 165859 Specdb::NmrOneD 165860 Specdb::NmrOneD 165861 Specdb::NmrOneD 165862 Specdb::NmrOneD 165863 Specdb::NmrOneD 165864 Specdb::NmrOneD 165865 Specdb::NmrOneD 165866 Specdb::NmrOneD 165867 Specdb::NmrOneD 165868 HMDB31861 #<Reference:0x000055ce3054b240> bitter bread crust chip chocolate coffee corn hazelnut nutty popcorn roast tomato