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, 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 | SPB-5 | SE-54 | SE-54 | CP Sil 8 CB |
| Column length (m) | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.53 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1.5 | 0.25 | 0.25 | 0.25 |
| Program | 40C(1min) => 6C/min => 180C => 20C/min => 280C | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min) | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min) | 35C(2min) => 40C/min => 60C(2min) => 2C/min => 220C |
| I | 808. | 818. | 833. | 821. |
| Reference | Majcher and Jelen, 2007 | Fritsch and Schieberle, 2005 | Fritsch and Schieberle, 2005 | Holscher, Vitzthum, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
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, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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