1.0 2010-04-08 22:14:30 UTC 2019-11-26 03:17:47 UTC FDB019681 2-Acetyl-3,5-dimethylpyrazine Constituent 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-ethanone 1-(3,5-Dimethyl-2-pyrazinyl)-ethanone 1-(3,5-Dimethyl-2-pyrazinyl)ethanone 1-(3,5-Dimethylpyrazinyl)-ethanone 1-(3,5-Dimethylpyrazinyl)ethan-1-one 1-(3,5-Dimethylpyrazinyl)ethanone, 9CI 2-Acetyl-3,5(6)-dimethylpyrazine Ethanone, 1-(3,5-dimethyl-2-pyrazinyl)- Ethanone, 1-(3,5-dimethylpyrazinyl)- Pyrazine, 2-acetyl-3,5-dimethyl C8H10N2O 150.1778 150.079312952 1-(3,5-dimethylpyrazin-2-yl)ethan-1-one 1-(3,5-dimethylpyrazin-2-yl)ethanone 54300-08-2 CC(=O)C1=C(C)N=C(C)C=N1 InChI=1S/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3 UCGOSAWBWFUKDT-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 0.82 ALOGPS logs -0.94 ALOGPS solubility 1.73e+01 g/l ALOGPS logp -0.26 ChemAxon pka_strongest_acidic 14.85 ChemAxon pka_strongest_basic 1.2 ChemAxon iupac 1-(3,5-dimethylpyrazin-2-yl)ethan-1-one ChemAxon average_mass 150.1778 ChemAxon mono_mass 150.079312952 ChemAxon smiles CC(=O)C1=C(C)N=C(C)C=N1 ChemAxon formula C8H10N2O ChemAxon inchi InChI=1S/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3 ChemAxon inchikey UCGOSAWBWFUKDT-UHFFFAOYSA-N ChemAxon polar_surface_area 42.85 ChemAxon refractivity 40.96 ChemAxon polarizability 16.07 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18906 Specdb::CMs 158938 Specdb::MsIr 8454 Specdb::MsIr 8455 Specdb::MsMs 308002 Specdb::MsMs 308003 Specdb::MsMs 308004 Specdb::MsMs 352081 Specdb::MsMs 352082 Specdb::MsMs 352083 Specdb::MsMs 2722560 Specdb::MsMs 2722561 Specdb::MsMs 2722562 Specdb::MsMs 2960115 Specdb::MsMs 2960116 Specdb::MsMs 2960117 Specdb::NmrOneD 37922 Specdb::NmrOneD 37923 Specdb::NmrOneD 37924 Specdb::NmrOneD 37925 Specdb::NmrOneD 37926 Specdb::NmrOneD 37927 Specdb::NmrOneD 37928 Specdb::NmrOneD 37929 Specdb::NmrOneD 37930 Specdb::NmrOneD 37931 Specdb::NmrOneD 37932 Specdb::NmrOneD 37933 Specdb::NmrOneD 37934 Specdb::NmrOneD 37935 Specdb::NmrOneD 37936 Specdb::NmrOneD 37937 Specdb::NmrOneD 37938 Specdb::NmrOneD 37939 Specdb::NmrOneD 37940 Specdb::NmrOneD 37941 HMDB39999 #<Reference:0x000055ce317882f0> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 caramel hazelnut nutty roasted