Methyl 3-(methylthio)-(E)-2-propenoate
- Formula: C5H8O2S
- Molecular weight: 132.181
- IUPAC Standard InChI: InChI=1S/C5H8O2S/c1-7-5(6)3-4-8-2/h3-4H,1-2H3/b4-3+
- IUPAC Standard InChIKey: KAFIOMPFBSDFPP-ONEGZZNKSA-N
- CAS Registry Number: 15904-85-5
- 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. - Stereoisomers:
- Other names: (E)-2-Propenoic acid, 3-methylthio-, methyl ester; Methyl 3-(methylthio)-2-propenoate, (E)
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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 | DB-1 | 1062. | Takeoka, Buttery, et al., 1991 | He, 50. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 220. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1675. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-Wax | 1663. | Takeoka, Buttery, et al., 1991 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min, 180. C @ 25. min |
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.
Takeoka, Buttery, et al., 1991
Takeoka, G.R.; Buttery, R.G.; Teranishi, R.; Flath, R.A.; Güntert, M.,
Identification of additional pineapple volatiles,
J. Agric. Food Chem., 1991, 39, 10, 1848-1851, https://doi.org/10.1021/jf00010a032
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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