3-Mercapto-3-methylbutyl formate (ester)
- Formula: C6H12O2S
- Molecular weight: 148.223
- IUPAC Standard InChI: InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3
- IUPAC Standard InChIKey: VTAPYUYITKYXJB-UHFFFAOYSA-N
- CAS Registry Number: 50746-10-6
- 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. - Other names: 3-Mercapto-3-methylbutyl formate; Formic acid 3-mercapto-3-methyl-butyl ester
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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 | DB-Wax | DB-Wax | DB-FFAP |
| Column length (m) | 60. | 60. | 30. | 30. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 40. |
| Tend (C) | 230. | 210. | 210. | 230. |
| Heat rate (K/min) | 6. | 3. | 3. | 6. |
| Initial hold (min) | 2. | |||
| Final hold (min) | 20. | 5. | ||
| I | 1497. | 1521. | 1523. | 1507. |
| Reference | Akiyama, Murakami, et al., 2003 | Kumazawa and Masuda, 2003 | Kumazawa and Masuda, 2003 | Sanz, Czerny, et al., 2002 |
| 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.
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]
Kumazawa and Masuda, 2003
Kumazawa, K.; Masuda, H.,
Investigation of the change in the flavor of a coffee drink during heat processing,
J. Agric. Food Chem., 2003, 51, 9, 2674-2678, https://doi.org/10.1021/jf021025f
. [all data]
Sanz, Czerny, et al., 2002
Sanz, C.; Czerny, M.; Cid, C.; Schieberle, P.,
Comparison of potent odorants in a filtered coffee brew and in an instant coffee beverage by aroma extract dilution analysis (AEDA),
Eur. Food Res. Technol., 2002, 214, 4, 299-302, https://doi.org/10.1007/s00217-001-0459-9
. [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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