3-Mercapto-3-methylbutanal
- Formula: C5H10OS
- Molecular weight: 118.197
- IUPAC Standard InChI: InChI=1S/C5H10OS/c1-5(2,7)3-4-6/h4,7H,3H2,1-2H3
- IUPAC Standard InChIKey: WHGAWTZRCJEVHB-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 |
|---|---|---|---|
| Active phase | CP-Sil 5 CB | CP-Sil 5 CB | CP-Sil 5 CB |
| Column length (m) | 50. | 50. | 25. |
| Carrier gas | Helium | Helium | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1.20 | 1.20 | |
| Program | not specified | 36 0C 20 0C/min -> 85 0C 1 0C/min -> 1345 0C 3 0C/min -> 250 0C | 40 0C (4 min) 2 0C/min -> 132 0C 10 0C/min -> 250 0C (45 min) |
| I | 842. | 845. | 842. |
| Reference | Liu, Cao, et al., 2009 | Bailly, Jerkovic, et al., 2006 | Vermeulen, Lecocq, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Liu, Cao, et al., 2009
Liu, F.; Cao, C.; Li, X.,
Quantitative structure-retention relationship study of mercapto-compounds by the method of dividing the molecular structure into substructure,
QSAR Comb. Sci., 2009, 28, 11-12, 1358-1366, https://doi.org/10.1002/qsar.200960043
. [all data]
Bailly, Jerkovic, et al., 2006
Bailly, S.; Jerkovic, V.; Collin, S.,
Identification of key-odorants in Sauternes wines, Identification of key-odorants in Sauternes wines, 5th International Terroir Congress, 2006, 4. [all data]
Vermeulen, Lecocq, et al., 2003
Vermeulen, C.; Lecocq, S.; Collin, S.,
Polyfunctional thiols and drinkability of beer, Polyfunctional thiols and drinkability of beer, 29th European Brewery Convention Congress, Dublin, Ireland, 17-22 May 2003, 2003, 11, retrieved from http://hdl.handle.net/2078.1/72705. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.