S-Methyl 3-methylbutanethioate
- Formula: C6H12OS
- Molecular weight: 132.224
- IUPAC Standard InChI: InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
- IUPAC Standard InChIKey: MPLWTJZAFOVXKP-UHFFFAOYSA-N
- CAS Registry Number: 23747-45-7
- 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: Butanethioic acid, 3-methyl-, S-methyl ester; S-methyl thioisovalerate; Methanethiol isovalerate; S-methyl thio-3-methylbutyrate; S-Methyl thio-3-methylbutanoate
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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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 938. | Beaulieu and Grimm, 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil 5 CB | 923. | 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) |
| Capillary | DB-5 | 938. | Beaulieu and Lancaster, 2007 | 30. m/0.25 mm/0.25 μm; Program: 50C(1min) => 5C/min => 100C => 10C/min => 250C (9min) |
| Capillary | CP Sil 5 CB | 913. | Lermusieau, Bulens, et al., 2001 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min) |
| Capillary | CP Sil 5 CB | 921. | Lermusieau, Bulens, et al., 2001 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | EC-1000 | 1225. | Bendall, 2001 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 5. K/min, 230. C @ 15. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | EC-1000 | 1225. | Delabre and Bendall, 9999 | Program: not specified |
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.
Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C.,
Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768
. [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]
Beaulieu and Lancaster, 2007
Beaulieu, J.C.; Lancaster, V.A.,
Correlating Volatile Compounds, Sensory Attributes, and Quality Parameters in Stored Fresh-Cut Cantaloupe,
J. Agric. Food Chem., 2007, 55, 23, 9503-9513, https://doi.org/10.1021/jf070282n
. [all data]
Lermusieau, Bulens, et al., 2001
Lermusieau, G.; Bulens, M.; Collin, S.,
Use of GC-olfactometry to identify the hop aromatic compounds in beer,
J. Agric. Food Chem., 2001, 49, 8, 3867-3874, https://doi.org/10.1021/jf0101509
. [all data]
Bendall, 2001
Bendall, J.G.,
Aroma compounds of fresh milk from New Zealand cows fed different diets,
J. Agric. Food Chem., 2001, 49, 10, 4825-4832, https://doi.org/10.1021/jf010334n
. [all data]
Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F.,
Flavour ingredients from fermented dairy streams,
Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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