Acetic acid, 3-mercapto-3-methylbutyl ester
- Formula: C7H14O2S
- Molecular weight: 162.250
- IUPAC Standard InChI: InChI=1S/C7H14O2S/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3
- IUPAC Standard InChIKey: HEZWKNVLHZGPOE-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. - Other names: 3-Methyl-3-sulfanylbutyl Acetate; 3-mercapto-3-methylbutyl- acetate
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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 | SPB-1 | 1080. | Starkenmann, Niclass, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1082. | Vermeulen and Collin, 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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1566. | Starkenmann, Niclass, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1568. | Vermeulen and Collin, 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.
Starkenmann, Niclass, et al., 2007
Starkenmann, C.; Niclass, Y.; Escher, S.,
Volatile Organic Sulfur-Containing Constituents in Poncirus trifoliata (L.) Raf. (Rutaceae),
J. Agric. Food Chem., 2007, 55, 11, 4511-4517, https://doi.org/10.1021/jf063453h
. [all data]
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
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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