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:
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 |
|---|---|---|---|---|
| Active phase | CP-Sil 5 CB | CP Sil 5 CB | DB-5 | CP Sil 5 CB |
| Column length (m) | 50. | 50. | 50. | |
| Carrier gas | Nitrogen | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | |
| Phase thickness (μm) | 1.20 | 1.2 | 1.2 | |
| Program | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) | 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) | not specified | 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min) |
| I | 938. | 944. | 972. | 944. |
| Reference | Gros, Nizet, et al., 2011 | Vermeulen, Lejeune, et al., 2006 | Acree and Arn, 2004 | Vermeulen, Guyot-Declerck, et al., 2003 |
| Comment | 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.
Gros, Nizet, et al., 2011
Gros, J.; Nizet, S.; Collin, S.,
Occurence of odorant polyfunctional thiols in the Super Alpha Tomahawk Hop cultivar. Comparison with the thiol-rich Nelson Sauvin bitter variety,
J. Agric. Food Chem., 2011, 59, 16, 8853-8865, https://doi.org/10.1021/jf201294e
. [all data]
Vermeulen, Lejeune, et al., 2006
Vermeulen, C.; Lejeune, I.; Tran, T.T.H.; Collin, S.,
Occurrence of polyfunctional thiols in fresh lager beers,
J. Agric. Food Chem., 2006, 54, 14, 5061-5068, https://doi.org/10.1021/jf060669a
. [all data]
Acree and Arn, 2004
Acree, T.; Arn, H.,
Flavornet, 2004, retrieved from http://www.flavornet.org/. [all data]
Vermeulen, Guyot-Declerck, et al., 2003
Vermeulen, C.; Guyot-Declerck, C.; Collin, S.,
Combinatorial synthesis and sensorial properties of mercapto primary alcohols and analogues,
J. Agric. Food Chem., 2003, 51, 12, 3623-3628, https://doi.org/10.1021/jf0212340
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.