3-mercaptoheptanol
- Formula: C7H16OS
- Molecular weight: 148.266
- IUPAC Standard InChI: InChI=1S/C7H16OS/c1-2-3-4-7(9)5-6-8/h7-9H,2-6H2,1H3
- IUPAC Standard InChIKey: KXCJHOUHCZNWTF-UHFFFAOYSA-N
- 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. - Species with the same structure:
- Other names: 3-sulfanyl-heptan-1-ol
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1286. | Sarrazin E., Shinkaruk S., et al., 2007 | 50. m/0.25 mm/1. μm, 45. C @ 10. min, 3. K/min, 250. C @ 20. min |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1956. | Sarrazin E., Shinkaruk S., et al., 2007 | 50. m/0.22 mm/0.25 μm, 45. C @ 10. min, 3. K/min, 230. C @ 20. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1198. | Vermeulen, Guyot-Declerck, et al., 2003 | 50. m/0.32 mm/1.2 μm, He; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C(45min) |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1962. | Vermeulen, Guyot-Declerck, et al., 2003 | 25. m/0.32 mm/0.3 μm; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C(15min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sarrazin E., Shinkaruk S., et al., 2007
Sarrazin E.; Shinkaruk S.; Bennetau B.; Frerot E.; Dubourdieu D.,
Odorous impact of volatile thiols on the aroma of young botrytized sweet wines: Identification and quantification of new sulfanyl alcohols,
J. Agric. Food Chem., 2007, 55, 4, 1437-1444, https://doi.org/10.1021/jf062582v
. [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, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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