3-Mercaptohexyl acetate
- Formula: C8H16O2S
- Molecular weight: 176.276
- IUPAC Standard InChI: InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3
- IUPAC Standard InChIKey: JUCARGIKESIVLB-UHFFFAOYSA-N
- CAS Registry Number: 136954-20-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 3-Sulfanylhexyl acetate; 1-Hexanol, 3-mercapto-, 1-acetate
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Normal alkane RI, 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 |
|---|---|
| Active phase | FFAP |
| Column length (m) | 25. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.3 |
| Program | 40C(4min) => 2C/min => 132C => 10C/min => 250C (15min) |
| I | 1727. |
| Reference | Vermeulen and Collin, 2003 |
| Comment | 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, 2003
Vermeulen, C.; Collin, S.,
Combinatorial synthesis and sensorial properties of 21 mercapto esters,
J. Agric. Food Chem., 2003, 51, 12, 3618-3622, https://doi.org/10.1021/jf021138z
. [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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