Pyrazine, 2-ethyl-5-methyl-

Formula: C₇H₁₀N₂
Molecular weight: 122.1677
IUPAC Standard InChI: InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
IUPAC Standard InChIKey: OXCKCFJIKRGXMM-UHFFFAOYSA-N
CAS Registry Number: 13360-64-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 2-Ethyl-5-methylpyrazine; 2-Methyl-5-ethylpyrazine; 2,5-Methylethylpyrazine; 5-Ethyl-2-methylpyrazine; Pyrazine, 5-ethyl-2-methyl
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Other data available:
- Mass spectrum (electron ionization)
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Normal alkane RI, non-polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-5	HP-5 MS	HP-5	HP-5MS	CP Sil 5 CB
Column length (m)	30.	30.	30.	30.	50.
Carrier gas		Helium	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	1.2
Program	40 0C (5 min) 5 0C/min -> 260 0C 15 0C/min -> 280 0C (1 min)	50 0C (2 min) 20 0C/min -> 80 0C (1 min) 20 0C -> 100 0C (1 min) 30 0C/min -> 230 0C (2 min)	50C(2min) => 2C/min => 140C => 10C/min => 280C (10min)	50C(2min) => 20C/min => 80C (1min) => 20C/min => 100C(1min) => 30C/min => 230C(3min)	36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)
I	994.	1001.	1002.	1001.	973.
Reference	Yu and Zhang, 2010	Wan Aida, Ho, et al., 2008	Characterization of Pyrazines in Some Chinese Liquors and Their Approximate Concentrations, 2007	Ho, Wan Aida, et al., 2007	Counet, Callemien, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	CP Sil 8 CB	DB-5	DB-5	DB-5	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Column length (m)	60.	30.	30.	30.	50.
Carrier gas		He		He	Hydrogen
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.32	0.32
Phase thickness (μm)	0.25	0.25
Program	not specified	35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C	not specified	35C => 40C/min => 50C(2min) => 4C/min => 240C	not specified
I	1014.	997.	998.	999.	980.
Reference	Duckham, Dodson, et al., 2001	Matsui, Guth, et al., 1998	Schieberle, 1996	Schieberle and Grosch, 1994	Waggott and Davies, 1984
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

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

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]

Wan Aida, Ho, et al., 2008
Wan Aida, W.M.; Ho, C.W.; Maskat, M.Y.; Osman, H., Relating descriptive sensory analysis to gas chromatography / mass spectrometry of palm sugars using partial least squares regression, ASEAN Food J., 2008, 15, 1, 35-45. [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]

Ho, Wan Aida, et al., 2007
Ho, C.W.; Wan Aida, W.M.; Maskat, M.Y.; Osman, H., Changes in volatile compounds of palm sap (Arenga pinnata) during the heating process for production of palm sugar, Food Chem., 2007, 102, 4, 1156-1162, https://doi.org/10.1016/j.foodchem.2006.07.004 . [all data]

Counet, Callemien, et al., 2002
Counet, C.; Callemien, D.; Ouwerx, C.; Collin, S., Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching, J. Agric. Food Chem., 2002, 50, 8, 2385-2391, https://doi.org/10.1021/jf0114177 . [all data]

Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars, Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4 . [all data]

Matsui, Guth, et al., 1998
Matsui, T.; Guth, H.; Grosch, W., A comparative study of potent odorants in peanut, hazelnut, and pumpkin seed oils on the basis of aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry of headspace samples (GCOH), Lipid - Fett, 1998, 100, 2, 51-56, https://doi.org/10.1002/(SICI)1521-4133(199802)100:2<51::AID-LIPI51>3.0.CO;2-W . [all data]

Schieberle, 1996
Schieberle, P., Odour-active compounds in moderately roasted sesame, Food Chem., 1996, 55, 2, 145-152, https://doi.org/10.1016/0308-8146(95)00095-X . [all data]

Schieberle and Grosch, 1994
Schieberle, P.; Grosch, W., Potent odorants of rye bread crust - differences from the crumb and from wheat bread crust, Z. Lebensm. Unters. Forsch., 1994, 198, 4, 292-296, https://doi.org/10.1007/BF01193177 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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