Pyrazine, 2-methoxy-3-(1-methylethyl)-
- Formula: C8H12N2O
- Molecular weight: 152.1937
- IUPAC Standard InChI: InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
- IUPAC Standard InChIKey: NTOPKICPEQUPPH-UHFFFAOYSA-N
- CAS Registry Number: 25773-40-4
- 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-Isopropyl-3-methoxypyrazine; 2-Methoxy-3-isopropylpyrazine; 3-Isopropyl-2-methoxypyrazine
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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 | SE-54 | DB-5 | HP-5 | HP-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0C | 50 0C m6 0C/min -> 140 0C 5 0C/min -> 160 0C (1 min) 10 0C/min -> 200 0C | 50 C(1min) => 20C/min => 80C => 25C/min => 250C (3 min) | 50 C(1min) => 20C/min => 80C => 25C/min => 250C (3 min) | 60C => 4C/min => 200C (5min) => 10C/min => 280C (20min) |
| I | 1096. | 1091. | 1097. | 1099. | 1089. |
| Reference | Christlbauer and Schieberle, 2009 | Courtois, Paine, et al., 2009 | Hartmann, 2003 | Hartmann, 2003 | Variyar, Ahmad, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | HP-5 | CP Sil 8 CB | RTX-5 | SE-54 |
| Column length (m) | 50. | 30. | 60. | 30. | |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | |
| Phase thickness (μm) | 1.2 | 0.25 | 0.25 | 0.25 | |
| Program | 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) | 40C (5min) => 10C/min => 80C => 20C/min => 230C (5min) | not specified | not specified | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C |
| I | 1081. | 1099. | 1097. | 1097. | 1097. |
| Reference | Counet, Callemien, et al., 2002 | Hartmann, McNair, et al., 2002 | Duckham, Dodson, et al., 2001 | Masanetz, Guth, et al., 1998 | Schermann and Schieberle, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | SE-54 | SE-54 | RSL-150 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
| Column length (m) | 30. | 30. | 60. | 50. |
| Carrier gas | He | He | He | Hydrogen |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Program | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C | 30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min) | not specified |
| I | 1097. | 1097. | 1077. | 1078. |
| Reference | Schermann and Schieberle, 1997 | Schermann and Schieberle, 1997 | Buchbauer, Nikiforov, et al., 1994 | Waggott and Davies, 1984 |
| Comment | MSDC-RI | 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.
Christlbauer and Schieberle, 2009
Christlbauer, M.; Schieberle, P.,
Characterization of the key aroma compounds in beef and pork vegetable gravies a la chef by application of the aroma extract dilution analysis,
J. Agric. Food Chem., 2009, 57, 19, 9114-9112, https://doi.org/10.1021/jf9023189
. [all data]
Courtois, Paine, et al., 2009
Courtois, E.A.; Paine, C.E.; Blandinieres, P.-A.; Stien, D.; Bessiere, J.-M.; Houel, E.; Baraloto, C.; Chave, J.,
Diversity of the volatile organic compounds emitted by 55 species of tropical trees: a survey in French Guiana,
J. Chem. Ecol., 2009, 35, 11, 1349-1362, https://doi.org/10.1007/s10886-009-9718-1
. [all data]
Hartmann, 2003
Hartmann, P.J.,
The effect of wine matrix ingredients on 3-alkyl-2-methoxypyrazines measurements by headspace solid-phase microextraction (HS-SPME), Master's Thesis, Virginia Tech., Blacksburg, Va., 2003, 30. [all data]
Variyar, Ahmad, et al., 2003
Variyar, P.S.; Ahmad, R.; Bhat, R.; Niyas, Z.; Sharma, A.,
Flavoring components of raw monsooned Arabica coffee and their changes during radiation processing,
J. Agric. Food Chem., 2003, 51, 27, 7945-7950, https://doi.org/10.1021/jf030408q
. [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]
Hartmann, McNair, et al., 2002
Hartmann, P.J.; McNair, H.M.; Zoecklein, B.W.,
Measurement of 3-alkyl-2-methoxypyrazine by headspace solid-phase microextraction in spiked model wines,
Am. J. Enol. Vitic, 2002, 53, 4, 285-288. [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]
Masanetz, Guth, et al., 1998
Masanetz, C.; Guth, H.; Grosch, W.,
Fishy and hay-like off-flavours of dry spinach,
Z. Lebensm. Unters. Forsch. A, 1998, 206, 2, 108-113, https://doi.org/10.1007/s002170050224
. [all data]
Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P.,
Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses,
J. Agric. Food Chem., 1997, 45, 3, 867-872, https://doi.org/10.1021/jf960670h
. [all data]
Buchbauer, Nikiforov, et al., 1994
Buchbauer, G.; Nikiforov, A.; Remberg, B.,
Headspace constituents of opium,
Planta Medica, 1994, 60, 2, 181-183, https://doi.org/10.1055/s-2006-959447
. [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
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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