Hexanethioic acid, S-methyl ester
- Formula: C7H14OS
- Molecular weight: 146.250
- IUPAC Standard InChI: InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
- IUPAC Standard InChIKey: AKGAHYLJHAOPKQ-UHFFFAOYSA-N
- CAS Registry Number: 2432-77-1
- 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. - Other names: Methanethiol caproate; Methylthiohexanoate; S-methyl hexanethioate; S-Methyl thiohexanoate
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1063. | Sylla, Berge, et al., 2009 | 30. m/0.32 mm/0.50 μm, Helium, 5. K/min, 250. C @ 5. min; Tstart: 50. C |
| Capillary | DB-1 | 1074. | Kumazawa, Itobe, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 30. C; Tend: 210. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil 5 CB | 1073. | Gros, Nizet, et al., 2011 | 50. m/0.32 mm/1.20 μm, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1412. | Kumazawa, Itobe, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 30. C; Tend: 210. C |
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.
Sylla, Berge, et al., 2009
Sylla, K.S.B.; Berge, J.-P.; Prost, C.; Musabyemariya, B.; Seydi, M.,
Sensory and aromatic characteristics of tongue sole by-products hydrolysates (Cynoglossus senegalensis),
Microbiologie et Hygiene Alimentarie, 2009, 21, 60, 35-43. [all data]
Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T.,
A new approach to estimate the in-mouth release characteristics of odorants in chewing gum,
Food Science and Technology Research, 2008, 14, 3, 269-276, https://doi.org/10.3136/fstr.14.269
. [all data]
Gros, Nizet, et al., 2011
Gros, J.; Nizet, S.; Collin, S.,
Occurence of odorant polyfunctional thiols in the Super Alpha Tomahawk Hop cultivar. Comparison with the thiol-rich Nelson Sauvin bitter variety,
J. Agric. Food Chem., 2011, 59, 16, 8853-8865, https://doi.org/10.1021/jf201294e
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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