4-Mercapto-4-methylpentyl-2-acetate
- Formula: C8H16O2S
- Molecular weight: 176.276
- IUPAC Standard InChI: InChI=1S/C8H16O2S/c1-6(10-7(2)9)5-8(3,4)11/h6,11H,5H2,1-4H3
- IUPAC Standard InChIKey: BLBLFIXJLJBUPQ-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
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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 |
|---|---|---|
| Active phase | CP-Sil 5 CB | CP-Sil 5 CB |
| Column length (m) | 50. | 25. |
| Carrier gas | Helium | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 1.20 | |
| Program | not specified | 40 0C (4 min) 2 0C/min -> 132 0C 10 0C/min -> 250 0C (45 min) |
| I | 1096. | 1096. |
| Reference | Liu, Cao, et al., 2009 | Vermeulen, Lecocq, et al., 2003 |
| Comment | 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]
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
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