2,5-Dihydro-3,4-dimethylthiophen-2-one
- Formula: C6H8OS
- Molecular weight: 128.192
- IUPAC Standard InChI: InChI=1S/C6H8OS/c1-4-3-8-6(7)5(4)2/h3H2,1-2H3
- IUPAC Standard InChIKey: IXXRQTNARJNVHF-UHFFFAOYSA-N
- CAS Registry Number: 33922-75-7
- 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: 2,5-Dihydrothiophen-2-one, 3,4-dimethyl; 2(5H)-Thiophenone,3,4-dimethyl-
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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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1200. | Schreyen, Dirinck, et al., 1976 | 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C |
| Capillary | OV-1 | 1193. | Schreyen, Dirinck, et al., 1976, 2 | N2, 1. K/min; Column length: 183. m; Tstart: 0. C; Tend: 230. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1217. | Zoghbi, Andrade, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 270. C |
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.
Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Analysis of leek volatiles by headspace condensation,
J. Agric. Food Chem., 1976, 24, 6, 1147-1152, https://doi.org/10.1021/jf60208a023
. [all data]
Schreyen, Dirinck, et al., 1976, 2
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Volatile flavor components of leek,
J. Agric. Food Chem., 1976, 24, 2, 336-341, https://doi.org/10.1021/jf60204a056
. [all data]
Zoghbi, Andrade, et al., 2002
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S.,
Volatile constituents from Adenocalymma alliaceum Miers and Petiveria alliacea L., two medicinal herbs of the Amazon,
Flavour Fragr. J., 2002, 17, 2, 133-135, https://doi.org/10.1002/ffj.1051
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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