3-Methyl-2-butene-1-thiol
- Formula: C5H10S
- Molecular weight: 102.198
- IUPAC Standard InChI: InChI=1S/C5H10S/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
- IUPAC Standard InChIKey: GYDPOKGOQFTYGW-UHFFFAOYSA-N
- CAS Registry Number: 5287-45-6
- 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-2-buten-1-thiol; 3-Methyl-2-butenethiol; 3-Methyl-but-2-ene-1-thiol; Prenyl mercaptan; Prenylthiol; 3-methyl-2-butene-1-thiol (isopentenylmercaptan); Isopentenylmercaptan; Isopentenylmercaptane; 2-Butene-1-thiol, 3-methyl-; 3-methylsulfanylhexyl acetate
- Information on this page:
- Other data available:
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Van Den Dool and Kratz RI, 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 |
|---|---|---|---|
| Active phase | Supelcowax-10 | FFAP | DB-Wax |
| Column length (m) | 30. | 30. | 60. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 40C(2min) => 40C/min => 60C(2min) => 5C/min => 240C | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min) | 35C(2min) => 40C/min => 60C(2min) => 2C/min => 220C |
| I | 1112. | 1100. | 1098. |
| Reference | Majcher and Jelen, 2007 | Fritsch and Schieberle, 2005 | Holscher, Vitzthum, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H.,
Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks,
J. Agric. Food Chem., 2007, 55, 14, 5754-5760, https://doi.org/10.1021/jf0703147
. [all data]
Fritsch and Schieberle, 2005
Fritsch, H.T.; Schieberle, P.,
Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer,
J. Agric. Food Chem., 2005, 53, 19, 7544-7551, https://doi.org/10.1021/jf051167k
. [all data]
Holscher, Vitzthum, et al., 1992
Holscher, W.; Vitzthum, O.G.; Steinhart, H.,
Prenyl alcohol - source for odorants in roasted coffee,
J. Agric. Food Chem., 1992, 40, 4, 655-658, https://doi.org/10.1021/jf00016a027
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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