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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Normal alkane RI, polar column, temperature ramp
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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 | DB-Wax | HP-Innowax | HP-Innowax | DB-Wax |
| Column length (m) | 15. | 60. | 30. | 60. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 40. | 40. |
| Tend (C) | 230. | 220. | 240. | 230. |
| Heat rate (K/min) | 6. | 2. | 5. | 6. |
| Initial hold (min) | 5. | |||
| Final hold (min) | 20. | 10. | 15. | 20. |
| I | 1111. | 1122. | 1087. | 1098. |
| Reference | Kishimoto, Wanikawa, et al., 2006 | Senger-Emonnot, Rochard, et al., 2006 | Isogai, Utsunomiya, et al., 2005 | Akiyama, Murakami, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Kishimoto, Wanikawa, et al., 2006
Kishimoto, T.; Wanikawa, A.; Kono, K.; Shibata, K.,
Comparison of the Odor-Active Compounds in Unhopped Beer and Beers Hopped with Different Hop Varieties,
J. Agric. Food Chem., 2006, 54, 23, 8855-8861, https://doi.org/10.1021/jf061342c
. [all data]
Senger-Emonnot, Rochard, et al., 2006
Senger-Emonnot, P.; Rochard, S.; Pellegrin, F.; George, G.; Fernandez, X.; Lizzani-Cuvelier, L.,
Odour active aroma compounds of sea fig (Microcosmus sulcatus),
Food Chem., 2006, 97, 3, 465-471, https://doi.org/10.1016/j.foodchem.2005.05.026
. [all data]
Isogai, Utsunomiya, et al., 2005
Isogai, A.; Utsunomiya, H.; Kanda, R.; Iwata, H.,
Changes in the Aroma Compounds of Sake during Aging,
J. Agric. Food Chem., 2005, 53, 10, 4118-4123, https://doi.org/10.1021/jf047933p
. [all data]
Akiyama, Murakami, et al., 2003
Akiyama, M.; Murakami, K.; Ohtani, N.; Iwatsuki, K.; Sotoyama, K.; Wada, A.; Tokuno, K.; Iwabuchi, H.; Tanaka, K.,
Analysis of volatile compounds released during the grinding of roasted coffee beans using solid-phase microextraction,
J. Agric. Food Chem., 2003, 51, 7, 1961-1969, https://doi.org/10.1021/jf020724p
. [all data]
Notes
Go To: Top, Normal alkane 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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