1-(6-Methyl-2-pyrazinyl)-1-ethanone

Formula: C₇H₈N₂O
Molecular weight: 136.1512
IUPAC Standard InChI: InChI=1S/C7H8N2O/c1-5-3-8-4-7(9-5)6(2)10/h3-4H,1-2H3
IUPAC Standard InChIKey: YVSDZDUKXQLFLV-UHFFFAOYSA-N
CAS Registry Number: 22047-26-3
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: 1-(6-Methyl-2-pyrazinyl)ethanone; 1-(6-Methyl-2-pyranizyl)-1-ethanone; 2-Acetyl-6-methylpyrazine; 2-Methyl-6-acetylpyrazine; 6-Methyl-2-acetylpyrazine; Pyrazine, 2-acetyl-6-methyl; Pyrazine, 6-acetyl-2-methyl
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Information on this page:
Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1088.	Kim, 2001	60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; T_end: 220. C
Capillary	DB-1	1093.	Izzo and Ho, 1991	50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; T_start: 40. C
Capillary	SE-30	1080.	Misharina, Golovnya, et al., 1991	50. m/0.32 mm/0.25 μm, 4. K/min; T_start: 50. C; T_end: 240. C

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1688.	Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007	30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min
Capillary	DB-Wax	1676.	Kim, 2001	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1083.	Buttery, Orts, et al., 1999	30. C @ 25. min, 4. K/min, 200. C @ 30. min; Column length: 60. m; Column diameter: 0.32 mm
Capillary	DB-1	1083.	Buttery, Ling, et al., 1997	30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
Capillary	OV-101	1088.	Mihara and Masuda, 1988	2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	1088.	Mihara and Masuda, 1987	N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	1089.	Mihara and Enomoto, 1985	N2, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1095.	Rodrigues, Hanson, et al., 2012	30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (1 min) 3 0C/min -> 150 0C (15 min) 5 0C/min -> 250 0C (5 min)
Capillary	HP-5	1088.	Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 2007	30. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => 2C/min => 140C => 10C/min => 280C (10min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	TC-Wax	1705.	Ishikawa, Ito, et al., 2004	60. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; T_end: 230. C

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1679.	Gonzalez-Rios, Suarez-Quiroz, et al., 2007	30. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
Capillary	Innowax	1694.	Ito and Mori, 2004	30. m/0.25 mm/0.50 μm, Helium; Program: 40 0C (2 min) 10 0C/min -> 100 0C 3 0C/min -> 160 0C 5 0C/min -> 260 0C (10 min)

References

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Kim, 2001
Kim, J.S., Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]

Izzo and Ho, 1991
Izzo, H.V.; Ho, C.-T., Isolation and identification of the volatile components of an extruded autolyzed yeast extract, J. Agric. Food Chem., 1991, 39, 12, 2245-2248, https://doi.org/10.1021/jf00012a029 . [all data]

Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Yakovleva, V.N.; Vitt, S.V., Pyrazines formed in model glycerin-water systems, Russ. Chem. Bull. (Engl. Transl.), 1991, 40, 9, 1742-1748, https://doi.org/10.1007/BF00960396 . [all data]

Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N., Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes, J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y . [all data]

Buttery, Orts, et al., 1999
Buttery, R.G.; Orts, W.J.; Takeoka, G.R.; Nam, Y., Volatile flavor components of rice cakes, J. Agric. Food Chem., 1999, 47, 10, 4353-4356, https://doi.org/10.1021/jf990140w . [all data]

Buttery, Ling, et al., 1997
Buttery, R.G.; Ling, L.C.; Stern, D.J., Studies on popcorn aroma and flavor volatiles, J. Agric. Food Chem., 1997, 45, 3, 837-843, https://doi.org/10.1021/jf9604807 . [all data]

Mihara and Masuda, 1988
Mihara, S.; Masuda, H., Structure-odor relationships for disubstituted pyrazines, J. Agric. Food Chem., 1988, 36, 6, 1242-1247, https://doi.org/10.1021/jf00084a029 . [all data]

Mihara and Masuda, 1987
Mihara, S.; Masuda, H., Correlation between molecular structures and retention indices of pyrazines, J. Chromatogr., 1987, 402, 309-317, https://doi.org/10.1016/0021-9673(87)80029-8 . [all data]

Mihara and Enomoto, 1985
Mihara, S.; Enomoto, N., Calculation of retention indices of pyrazines on the basis of molecular structure, J. Chromatogr., 1985, 324, 428-430, https://doi.org/10.1016/S0021-9673(01)81342-X . [all data]

Rodrigues, Hanson, et al., 2012
Rodrigues, C.I.I.; Hanson, C.M.; Nogueira, J.M.F., Coffees and industrial blends aroma profile discrimination according to the chromatic value, Coffee Sci, Lavras, 2012, 7, 2, 167-176. [all data]

Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 2007
Characterization of Pyrazines in Some Chinese Liquors; Their Approximate Concentrations, W. Fan; Y. Xu; Y. Zhang, J. Agric. Food Chem., 2007, 55, 9956-9962. [all data]

Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A., Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles, Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322 . [all data]

Gonzalez-Rios, Suarez-Quiroz, et al., 2007
Gonzalez-Rios, O.; Suarez-Quiroz, M.L.; Boulanger, R.; Barel, M.; Guyot, B.; Guiraud, J.-P.; Schorr-Galindo, S., Impact of ecological post-harvest processing of coffee aroma: II Roasted coffee., J. Food Composition Analysis, 2007, 20, 3-4, 297-307, https://doi.org/10.1016/j.jfca.2006.12.004 . [all data]

Ito and Mori, 2004
Ito, K.; Mori, M., Formation of pyrazines in aqueous maltose/glucose/fructose-glutamide model systems upon heating at below 100 0C, Food Sci. Technol. Res., 2004, 10, 2, 199-204, https://doi.org/10.3136/fstr.10.199 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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