2(5H)-Thiophenone, 5-methyl-
- Formula: C5H6OS
- Molecular weight: 114.166
- IUPAC Standard InChI: InChI=1S/C5H6OS/c1-4-2-3-5(6)7-4/h2-4H,1H3
- IUPAC Standard InChIKey: QDQVRZPVOVZFMA-UHFFFAOYSA-N
- CAS Registry Number: 7210-64-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 5-Methyl-2(5H)-thiophenone
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.16 ± 0.05 | EI | Thorstad, Undheim, et al., 1975 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, References, Notes
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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 826. | Misharina, Golovnya, et al., 1994 | 50. m/0.32 mm/0.25 μm, He, 8. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Thorstad, Undheim, et al., 1975
Thorstad, O.; Undheim, K.; Cederlund, B.; Hornfeldt, A.-B.,
Ionisation potentials in tautomeric analysis of 2-hydroxy derivatives of thiophenes, selenophenes, and furans,
Acta Chem. Scand. Ser. B:, 1975, 29, 647. [all data]
Misharina, Golovnya, et al., 1994
Misharina, T.A.; Golovnya, R.V.; Strashnenko, E.S.; Medvedeva, I.B.,
Sorbtion-structural mass-spectrometric characteristics of volatile components of model systems and flavor compounds with meat odor,
Zh. Anal. Khim., 1994, 49, 7, 722-728. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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