2-Methyl-3-propylpyrazine

Formula: C₈H₁₂N₂
Molecular weight: 136.1943
IUPAC Standard InChI: InChI=1S/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3
IUPAC Standard InChIKey: XAWKNALRUSOTOY-UHFFFAOYSA-N
CAS Registry Number: 15986-80-8
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: 3-Propyl-2-methyl pyrazine; 2-Methyl-3-n-propylpyrazine; 2-Propyl-3-methylpyrazine; Pyrazine, 2-methyl-3-propyl-
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Other data available:
- IR Spectrum
- 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	1065.	Specht and Baltes, 1994	60. m/0.25 mm/0.25 μm, 35. C @ 10. min, 2. K/min, 280. C @ 10. min

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Ultra-1	1065.	Du, Clery, et al., 2008	50. m/0.20 mm/0.33 μm, Helium, 2. K/min, 280. C @ 20. min; T_start: 50. C
Capillary	HP-5	1094.	Du, Clery, et al., 2008	50. m/0.20 mm/0.33 μm, Helium, 10. K/min, 280. C @ 8.5 min; T_start: 50. C
Capillary	OV-101	1072.	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	1072.	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

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1088.	Yu and Zhang, 2010	30. m/0.25 mm/0.25 μm; Program: 40 0C (5 min) 5 0C/min -> 260 0C 15 0C/min -> 280 0C (1 min)
Capillary	SE-30	1074.	Vinogradov, 2004	Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax	1461.	Du, Clery, et al., 2008	50. m/0.20 mm/0.33 μm, Helium, 10. K/min, 250. C @ 6. min; T_start: 50. C
Capillary	FFAP	1479.	Nebesny, Budryn, et al., 2007	30. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min
Capillary	TC-Wax	1478.	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
Capillary	CP-Wax 52CB	1489.	Chyau, Lin, et al., 1997	50. m/0.32 mm/0.25 μm, He, 50. C @ 5. min, 1.5 K/min, 210. C @ 10. min
Capillary	Carbowax 20M	1438.	Mihara and Masuda, 1988	2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1462.	Vinogradov, 2004	Program: not specified
Capillary	Carbowax 20M	1438.	Mihara and Masuda, 1987	Program: not specified

References

Go To: Top, Gas Chromatography, Notes

Specht and Baltes, 1994
Specht, K.; Baltes, W., Identification of volatile flavor compounds with high aroma values from shallow-fried beef, J. Agric. Food Chem., 1994, 42, 10, 2246-2253, https://doi.org/10.1021/jf00046a031 . [all data]

Du, Clery, et al., 2008
Du, Z.; Clery, R.; Hammond, C.J., Volatile organic nitrogen-containing constituents in ambrette seed Abelmoschus moschatus Medik (Malvaceae), J. Agric. Food Chem., 2008, 56, 16, 7388-7392, https://doi.org/10.1021/jf800958d . [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]

Yu and Zhang, 2010
Yu, A.-N.; Zhang, A.-D., The effect of pH on the total formation of aroma compounds produced by hearting a model system containing L-ascorbic acid with L-threonine/L-serine, Food Chem., 2010, 119, 1, 214-219, https://doi.org/10.1016/j.foodchem.2009.06.026 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T., The effect of roasting method on headspace composition of robusta coffee bean aroma, Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0 . [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]

Chyau, Lin, et al., 1997
Chyau, C.-C.; Lin, Y.-C.; Mau, J.-L., Storage stability of deep-fried shallot flavoring, J. Agric. Food Chem., 1997, 45, 8, 3211-3215, https://doi.org/10.1021/jf970109z . [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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