3-Mercapto-3-methylbutanol
- Formula: C5H12OS
- Molecular weight: 120.213
- IUPAC Standard InChI: InChI=1S/C5H12OS/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
- IUPAC Standard InChIKey: GBCGIJAYTBMFHI-UHFFFAOYSA-N
- CAS Registry Number: 34300-94-2
- 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. - Species with the same structure:
- Other names: 3-Methyl-3-sulfanyl-1-butanol; 3-Mercapto-3-methyl-1-butanol; 3-Mercapto-3-methyl-butan-1-ol; 3-Methyl-3-sulfanylbutan-1-ol; 3-Methyl-3-sulfanylbutanol-1-ol; 3-Sulfanyl-3-methylbutan-1-ol
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, 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 |
|---|---|---|
| Active phase | BP-20 | DB-Wax |
| Column length (m) | 50. | 30. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Tstart (C) | 45. | 40. |
| Tend (C) | 230. | 240. |
| Heat rate (K/min) | 3. | 6. |
| Initial hold (min) | 10. | 10. |
| Final hold (min) | 20. | 25. |
| I | 1677. | 1658. |
| Reference | Sarrazin E., Shinkaruk S., et al., 2007 | Varming, Petersen, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Sarrazin E., Shinkaruk S., et al., 2007
Sarrazin E.; Shinkaruk S.; Bennetau B.; Frerot E.; Dubourdieu D.,
Odorous impact of volatile thiols on the aroma of young botrytized sweet wines: Identification and quantification of new sulfanyl alcohols,
J. Agric. Food Chem., 2007, 55, 4, 1437-1444, https://doi.org/10.1021/jf062582v
. [all data]
Varming, Petersen, et al., 2004
Varming, C.; Petersen, M.A.; Poll, L.,
Comparison of isolation methods for the determination of important aroma compounds in black currant (Ribes nigrum L.) juice, using nasal impact frequency profiling,
J. Agric. Food Chem., 2004, 52, 6, 1647-1652, https://doi.org/10.1021/jf035133t
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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