Acetylpyrazine

• Formula: C₆H₆N₂O
• Molecular weight: 122.1246
• IUPAC Standard InChI: InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3 Copy

  
• IUPAC Standard InChIKey: DBZAKQWXICEWNW-UHFFFAOYSA-N Copy
• CAS Registry Number: 22047-25-2
• 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.
• Species with the same structure:
  • 2-Acetylpyrazine
• Other names: 2-Acetylpyrazine; Ethanone, 1-pyrazinyl-; Ketone, methyl pyrazinyl; pyrazin-1-ylethan-1-one
• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Options:
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Normal alkane RI, non-polar column, temperature ramp

Go To: Top, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J., Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee, Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009 . [all data]

Cadwallader and Heo, 2001
Cadwallader, K.R.; Heo, J., Aroma of roasted sesame oil: characterization by direct thermal desorption-gas chromatography-olfactometry and sample dilution analysis, Am. Chem. Soc. Symp. Ser., 2001, 782, 187-202. [all data]

Chen and Ho, 1999
Chen, J.; Ho, C.-T., Comparison of volatile generation in serine/threonine/glutamine-ribose/glucose/fructose model systems, J. Agric. Food Chem., 1999, 47, 2, 643-647, https://doi.org/10.1021/jf980771a . [all data]

Chen and Ho, 1998
Chen, J.; Ho, C.-T., Volatile compounds generated in serine-monosaccharide model systems, J. Agric. Food Chem., 1998, 46, 4, 1518-1522, https://doi.org/10.1021/jf970934f . [all data]

Chen, Wang, et al., 1998
Chen, J.; Wang, M.; Ho, C.-T., Volatile compounds generated from thermal degradation of N-acetylglucosamine, J. Agric. Food Chem., 1998, 46, 8, 3207-3209, https://doi.org/10.1021/jf980129g . [all data]

Schieberle, 1991
Schieberle, P., Primary odorants in popcorn, J. Agric. Food Chem., 1991, 39, 6, 1141-1144, https://doi.org/10.1021/jf00006a030 . [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]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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