3-(Methylthio)propanoic acid ethyl ester
- Formula: C6H12O2S
- Molecular weight: 148.223
- IUPAC Standard InChI: InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3
- IUPAC Standard InChIKey: YSNWHRKJEKWJNY-UHFFFAOYSA-N
- CAS Registry Number: 13327-56-5
- 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: Ethyl 3-(methylthio)propionate; Propanoic acid, 3-(methylthio)-, ethyl ester; Ethyl β-methylthiopropionate; Propionic acid, 3-(methylthio)-, ethyl ester; 3-(Methylthio)propionic acid ethylester; Ethyl methylthiopropanoate; Ethyl 3-(methylsulfanyl)propanoate; Ethyl 3-methylthiopropanoate
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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 | Capillary | Capillary |
|---|---|---|---|
| Active phase | EC-1000 | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 50. | |
| Carrier gas | Helium | N2 | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.2 | |
| Phase thickness (μm) | 0.25 | 0.2 | |
| Program | not specified | not specified | 60C => 2C/min => 150C => 4C/min => 220C |
| I | 1565. | 1560. | 1581. |
| Reference | Delabre and Bendall, 9999 | Welke, Manfroi, et al., 2012 | Teai, Claude-Lafontaine, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | 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.
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]
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002
. [all data]
Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F.,
Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia,
J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222
. [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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