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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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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 | HP-5 | DB-5 MS | DB-5 | DB-5 | DB-5MS |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | Hydrogen | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 50. | 40. | 40. | 40. |
| Tend (C) | 290. | 220. | 230. | 230. | 195. |
| Heat rate (K/min) | 5. | 3. | 6. | 6. | 5. |
| Initial hold (min) | 2. | 1. | 2. | 5. | |
| Final hold (min) | 70. | 5. | 40. | ||
| I | 1098. | 1093. | 1100. | 1097. | 1094. |
| Reference | Radulovic, Dordevic, et al., 2010 | Shimizu, Imayoshi, et al., 2009 | Zeller and Rychlik, 2007 | Sanz, Czerny, et al., 2002 | Suriyaphan, Drake, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | OV-101 | Ultra-1 | OV-101 | HP-5 |
| Column length (m) | 30. | 10. | 50. | 15. | |
| Carrier gas | He | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.52 | |||
| Tstart (C) | 40. | 35. | 40. | 35. | 35. |
| Tend (C) | 230. | 225. | 240. | 250. | 200. |
| Heat rate (K/min) | 6. | 6. | 4. | 6. | 6. |
| Initial hold (min) | 2. | 3. | 3. | 2. | |
| Final hold (min) | 5. | 10. | |||
| I | 1097. | 1076. | 1092. | 1083. | 1100. |
| Reference | Czerny and Grosch, 2000 | Deibler, Acree, et al., 1998 | Hashizume and Samuta, 1997 | Chisholm, Guiher, et al., 1995 | Larsen and Frisvad, 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | OV-101 | OV-101 | DB-5 |
| Column length (m) | 50. | 50. | 60. | ||
| Carrier gas | N2 | H2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.32 | ||
| Phase thickness (μm) | |||||
| Tstart (C) | 35. | 35. | 80. | 80. | 40. |
| Tend (C) | 200. | 200. | 200. | 200. | 200. |
| Heat rate (K/min) | 6. | 6. | 2. | 2. | 2. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | |||||
| I | 1100. | 1100. | 1078. | 1078. | 1100. |
| Reference | Larsen and Frisvad, 1995 | Larsen and Frisvad, 1994 | Mihara and Masuda, 1988 | Mihara and Masuda, 1987 | Gallois and Grimont, 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 50. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.22 |
| Phase thickness (μm) | |
| Tstart (C) | 80. |
| Tend (C) | 200. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1078. |
| Reference | Mihara and Enomoto, 1985 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M.,
Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R
. [all data]
Shimizu, Imayoshi, et al., 2009
Shimizu, Y.; Imayoshi, Y.; Kato, M.; Maeda, K.; Iwabuchi, H.; Shimomura, K.,
Volatiles from leaves of field-grown plants and shoot cultures of Gynura bicolor DC,
Flavour Fragr. J., 2009, 24, 5, 251-258, https://doi.org/10.1002/ffj.1938
. [all data]
Zeller and Rychlik, 2007
Zeller, A.; Rychlik, M.,
Impact of estragole and other odorants on the flavour of anise and tarragon,
Flavour Fragr. J., 2007, 22, 2, 105-113, https://doi.org/10.1002/ffj.1765
. [all data]
Sanz, Czerny, et al., 2002
Sanz, C.; Czerny, M.; Cid, C.; Schieberle, P.,
Comparison of potent odorants in a filtered coffee brew and in an instant coffee beverage by aroma extract dilution analysis (AEDA),
Eur. Food Res. Technol., 2002, 214, 4, 299-302, https://doi.org/10.1007/s00217-001-0459-9
. [all data]
Suriyaphan, Drake, et al., 2001
Suriyaphan, O.; Drake, M.; Chen, X.Q.; Cadwallader, K.R.,
Characteristic aroma components of British farmhouse cheddar cheese,
J. Agric. Food Chem., 2001, 49, 3, 1382-1387, https://doi.org/10.1021/jf001121l
. [all data]
Czerny and Grosch, 2000
Czerny, M.; Grosch, W.,
Potent odorants of raw Arabica coffee. Their changes during roasting,
J. Agric. Food Chem., 2000, 48, 3, 868-872, https://doi.org/10.1021/jf990609n
. [all data]
Deibler, Acree, et al., 1998
Deibler, K.D.; Acree, T.E.; Lavin, E.H.,
Aroma analysis of coffrr brew by gas chromatography-oldfactometry,
Developments in Food Sci., 1998, 40, 69-78. [all data]
Hashizume and Samuta, 1997
Hashizume, K.; Samuta, T.,
Green odorants of grape cluster stem and their ability to cause a wine stemmy flavor,
J. Agric. Food Chem., 1997, 45, 4, 1333-1337, https://doi.org/10.1021/jf960635a
. [all data]
Chisholm, Guiher, et al., 1995
Chisholm, M.G.; Guiher, L.A.; Zaczkiewicz, S.M.,
Aroma characteristics of aged Vidal blanc wine,
Am. J. Enol. Vitic, 1995, 46, 1, 56-62. [all data]
Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C.,
Comparison of different methods for collection of volatile chemical markers from fungi,
J. Microbiol. Methods, 1995, 24, 2, 135-144, https://doi.org/10.1016/0167-7012(95)00063-1
. [all data]
Larsen and Frisvad, 1994
Larsen, T.O.; Frisvad, J.C.,
A simple method for collection of volatile metabolites from fungi based on diffusive sampling from Petri dishes,
J. Microbiol. Methods, 1994, 19, 4, 297-305, https://doi.org/10.1016/0167-7012(94)90032-9
. [all data]
Mihara and Masuda, 1988
Mihara, S.; Masuda, H.,
Structure-odor relationships for disubstituted pyrazines,
J. Agric. Food Chem., 1988, 36, 6, 1242-1247, https://doi.org/10.1021/jf00084a029
. [all data]
Mihara and Masuda, 1987
Mihara, S.; Masuda, H.,
Correlation between molecular structures and retention indices of pyrazines,
J. Chromatogr., 1987, 402, 309-317, https://doi.org/10.1016/0021-9673(87)80029-8
. [all data]
Gallois and Grimont, 1985
Gallois, A.; Grimont, P.A.D.,
Pyrazines responsible for the potatolike odor produced by some Serratia and Cedecea strains,
Appl. Environ. Microbiol., 1985, 10, 1048-1051. [all data]
Mihara and Enomoto, 1985
Mihara, S.; Enomoto, N.,
Calculation of retention indices of pyrazines on the basis of molecular structure,
J. Chromatogr., 1985, 324, 428-430, https://doi.org/10.1016/S0021-9673(01)81342-X
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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