Pyrazine, 2-methoxy-3-(2-methylpropyl)-
- Formula: C9H14N2O
- Molecular weight: 166.2203
- IUPAC Standard InChI: InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
- IUPAC Standard InChIKey: UXFSPRAGHGMRSQ-UHFFFAOYSA-N
- CAS Registry Number: 24683-00-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 2-Isobutyl-3-methoxypyrazine; 2-Methoxy-3-isobutylpyrazine; 2-Methoxy-3-(2-methyl-propyl) pyrazine; 3-Isobutyl-2-methoxypyrazine; 3-Methoxy-2-isobutylpyrazine; Pyrazine, 2-(2-methylpropyl)-3-methoxy; Pyrazine, 2-isobutyl-3-methoxy; Pyrazine, 2-methoxy, 3-isobutyl; Pyrazine, 3-methoxy-2-(2-methylpropyl)
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- Other data available:
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Normal alkane RI, 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-FFAP | DB-FFAP | DB-Wax | DB-FFAP | CP-Wax 52CB |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Program | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) | 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C | 35 0C (2 min) 40 K/min -> 60 0C (1 min) 6 K/min -> 240 0C | 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min) |
| I | 1517. | 1517. | 1517. | 1520. | 1519. |
| Reference | Buettner, 2007 | Lasekan, Buettner, et al., 2007 | Steinhaus and Schieberle, 2005 | Mayer and Grosch, 2001 | Jakobsen, Hansen, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | FFAP | CP-Wax 52CB | CP-Wax 52CB |
| Column length (m) | 25. | 50. | 50. |
| Carrier gas | |||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.3 | 1.5 | 1.5 |
| Program | 35C (2min) => 40C/min => 60C(1min) => 6C/min => 230C | 40C => 2C/min => 150C => 10C/min => 250C | 40C => 2C/min => 150C => 10C/min => 250C |
| I | 1521. | 1510. | 1510. |
| Reference | Reiners and Grosch, 1998 | Luning, de Rijk, et al., 1994 | Luning, de Rijk, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Buettner, 2007
Buettner, A.,
A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples,
Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822
. [all data]
Lasekan, Buettner, et al., 2007
Lasekan, O.; Buettner, A.; Christlbauer, M.,
Investigation of important odorants of palm wine (Elaeis guineensis),
Food Chem., 2007, 105, 1, 15-23, https://doi.org/10.1016/j.foodchem.2006.12.052
. [all data]
Steinhaus and Schieberle, 2005
Steinhaus, M.; Schieberle, P.,
Characterization of odorants causing an atypical aroma in white pepper powder (Piper nigrum L.) based on quantitative measurements and orthonasal breakthrough thresholds,
J. Agric. Food Chem., 2005, 53, 15, 6049-6055, https://doi.org/10.1021/jf0506030
. [all data]
Mayer and Grosch, 2001
Mayer, F.; Grosch, W.,
Aroma simulation on the basis of the odourant composition of roasted coffee headspace,
Flavour Fragr. J., 2001, 16, 3, 180-190, https://doi.org/10.1002/ffj.975
. [all data]
Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E.,
Aroma volatiles of blanched green peas (Pisum sativum L.),
J. Agric. Food Chem., 1998, 46, 9, 3727-3734, https://doi.org/10.1021/jf980026y
. [all data]
Reiners and Grosch, 1998
Reiners, J.; Grosch, W.,
Odorants of virgin olive oils with different flavor profiles,
J. Agric. Food Chem., 1998, 46, 7, 2754-2763, https://doi.org/10.1021/jf970940b
. [all data]
Luning, de Rijk, et al., 1994
Luning, P.A.; de Rijk, T.; Wichers, H.J.; Roozen, J.P.,
Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages,
J. Agric. Food Chem., 1994, 42, 4, 977-983, https://doi.org/10.1021/jf00040a027
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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