2-Isopropyl-3-methylthiopyrazine
- Formula: C8H12N2S
- Molecular weight: 168.259
- IUPAC Standard InChI: InChI=1S/C8H12N2S/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
- IUPAC Standard InChIKey: MUSIVZZZFRJWGI-UHFFFAOYSA-N
- CAS Registry Number: 67952-59-4
- 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: 3-Isopropyl-2-(methylthio)pyrazine; Pyrazine, 3-(1-methylethyl)-2-(methylthio); Pyrazine, 2-methylthio-3-(1-methylethyl); 2-(1-methylethyl)-3-(methylthio)pyrazine
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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 |
|---|---|---|---|
| Active phase | OV-101 | OV-101 | OV-101 |
| Column length (m) | 50. | 50. | 50. |
| Carrier gas | N2 | N2 | |
| Substrate | |||
| Column diameter (mm) | 0.22 | 0.22 | 0.22 |
| Phase thickness (μm) | |||
| Tstart (C) | 80. | 80. | 80. |
| Tend (C) | 200. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | 2. |
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 1273. | 1273. | 1273. |
| Reference | Mihara and Masuda, 1988 | Mihara and Masuda, 1987 | Mihara and Enomoto, 1985 |
| Comment | MSDC-RI | MSDC-RI | 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.
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]
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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