1-Mercapto-3-pentanone
- Formula: C5H10OS
- Molecular weight: 118.197
- IUPAC Standard InChI: InChI=1S/C5H10OS/c1-2-5(6)3-4-7/h7H,2-4H2,1H3
- IUPAC Standard InChIKey: ORZNCWCHFKUYAZ-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: 1-mercaptopentan-3-one
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | CP-Wax 58CB | FFAP | FFAP |
| Column length (m) | 25. | 25. | 25. |
| Carrier gas | |||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.30 | 0.3 | 0.3 |
| Program | 40 0C (4 min) 2 0C/min -> 132 0C 10 0C/min -> 250 0C (15 min) | 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) | 40C(4min) => 2C/min => 132C => 10C/min => 250C(15min) |
| I | 1517. | 1517. | 1517. |
| Reference | Vermeulen and Collin, 2006 | Vermeulen, Lejeune, et al., 2006 | Vermeulen, Guyot-Declerck, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Vermeulen and Collin, 2006
Vermeulen, C.; Collin, S.,
Combinatorial Synthesis and Screening of Nover Odorants such as Polyfunctional Thiols,
Combinatorial Chem. High Throghput Screening, 2006, 9, 8, 583-590, https://doi.org/10.2174/138620706778249712
. [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]
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, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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