Pyrazine, 2-methoxy-3-(2-methylpropyl)-
- Formula: C9H14N2O
- Molecular weight: 166.2203
- 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
The 3d structure may be viewed using Java or Javascript. - 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:
- Options:
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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | HP-5 MS | HP-1 | DB-5 |
Column length (m) | 60. | 50. | 30. | ||
Carrier gas | Helium | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.2 | 0.32 | ||
Phase thickness (μm) | 1.0 | 0.33 | 0.25 | ||
Program | not specified | not specified | 120 0C 2 0C/min -> 240 0C 10 0C/min -> 270 0C (2 min) | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
I | 1179. | 1183. | 1193. | 1156. | 1184. |
Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Dharmawan, Kasapis, et al., 2009 | Barra, Baldovini, et al., 2007 | Buettner, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
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 | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min) | 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 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 | 1175. | 1181. | 1185. | 1187. | 1176. |
Reference | Lasekan, Buettner, et al., 2007 | Steinhaus and Schieberle, 2005 | 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 | DB-5 | HP-5 | CP Sil 8 CB | SE-54 | RSL-150 |
Column length (m) | 30. | 30. | 60. | 30. | 60. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | -5C(1min) => 4C/min => 50C => 6C/min => 120C => 8C/min => 250C(2min) | 40C (5min) => 10C/min => 80C => 20C/min => 230C (5min) | not specified | 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C | 30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min) |
I | 1186. | 1187. | 1186. | 1181. | 1164. |
Reference | Bücking and Steinhart, 2002 | Hartmann, McNair, et al., 2002 | Duckham, Dodson, et al., 2001 | Reiners and Grosch, 1998 | Buchbauer, Nikiforov, et al., 1994 |
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
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Dharmawan, Kasapis, et al., 2009
Dharmawan, J.; Kasapis, S.; Sriramula, P.; Lear, M.J.; Curran, P.,
Evaluation of aroma-active compounds in Pontianak orange peel oil (Citrus nobilis Lour. var. microcarpa Hassk.) by gas chromatography - olfactometry, aroma reconstitution, and omission test,
J. Agric. Food Chem., 2009, 57, 1, 239-244, https://doi.org/10.1021/jf801070r
. [all data]
Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L.,
Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE),
Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027
. [all data]
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]
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]
Bücking and Steinhart, 2002
Bücking, M.; Steinhart, H.,
Headspace GC and sensory analysis characterization of the influence of different milk additives on the flavor release of coffee beverages,
J. Agric. Food Chem., 2002, 50, 6, 1529-1534, https://doi.org/10.1021/jf011117p
. [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]
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]
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]
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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