Pyrazine, 3,5-diethyl-2-methyl-
- Formula: C9H14N2
- Molecular weight: 150.2209
- IUPAC Standard InChI: InChI=1S/C9H14N2/c1-4-8-6-10-7(3)9(5-2)11-8/h6H,4-5H2,1-3H3
- IUPAC Standard InChIKey: MRWLZECVHMHMGI-UHFFFAOYSA-N
- CAS Registry Number: 18138-05-1
- 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: 2-Methyl-3,5-diethylpyrazine; 2,6-Diethyl-3-methylpyrazine; 2,6-Diethyl-5-methylpyrazine; 3,5-Diethyl-2-methylpyrazine
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- Information on this page:
- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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
| 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 | 1148. | 1162. | 1159. | 1162. | 1138. |
| 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, Ouwerx, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-5 | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 30. | 50. | 50. |
| Carrier gas | |||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 1.2 | 1.2 |
| Program | 35C(4min) => 2C/min => 130C => 4C/min => 250C | 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) | 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
| I | 1160. | 1137. | 1139. |
| Reference | Qian and Reineccius, 2003 | Counet, Callemien, et al., 2002 | Counet, Callemien, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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, Ouwerx, et al., 2004
Counet, C.; Ouwerx, C.; Rosoux, D.; Collin, S.,
Relationship between procyanidin and flavor contents of cocoa liquors from different origins,
J. Agric. Food Chem., 2004, 52, 20, 6243-6249, https://doi.org/10.1021/jf040105b
. [all data]
Qian and Reineccius, 2003
Qian, M.; Reineccius, G.,
Potent aroma compounds in Parmigiano Reggiano cheese studied using a dynamic headspace (purge-trap) method,
Flavour Fragr. J., 2003, 18, 3, 252-259, https://doi.org/10.1002/ffj.1194
. [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]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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