3-[(1-methyl-2-oxopropyl)-dithio]-2-pentanone
- Formula: C9H16O2S2
- Molecular weight: 220.352
- IUPAC Standard InChI: InChI=1S/C9H16O2S2/c1-5-9(7(3)11)13-12-8(4)6(2)10/h8-9H,5H2,1-4H3
- IUPAC Standard InChIKey: OXSWGHQNGIZSSA-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-oxo-3-pentyl 3-oxo-2-butyl disulfide; 3-(1-Methyl-2-oxopropyldithio)pentan-2-one
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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 | BP-5 | 1539. | Whitfield and Mottram, 1999 | He, 60. C @ 5. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 250. C |
| Capillary | DB-5 | 1544. | Mottram, Madruga, et al., 1995 | 30. m/0.32 mm/1. μm, He, 60. C @ 5. min, 4. K/min; Tend: 250. C |
| Capillary | DB-5 | 1550. | Mottram, Madruga, et al., 1995 | 30. m/0.32 mm/1. μm, He, 60. C @ 5. min, 4. K/min; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1532. | Hofmann, Schieberle, et al., 1996 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 50C(5min) => 6C/min => 230C(15min) |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 2227. | Hofmann, Schieberle, et al., 1996 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(5min) => 6C/min => 230C(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.
Whitfield and Mottram, 1999
Whitfield, F.B.; Mottram, D.S.,
Investigation of the reaction between 4-hydroxy-5-methyl-3(2H)-furanone and cysteine or hydrogen sulfide at pH 4.5,
J. Agric. Food Chem., 1999, 47, 4, 1626-1634, https://doi.org/10.1021/jf980980v
. [all data]
Mottram, Madruga, et al., 1995
Mottram, D.S.; Madruga, M.S.; Whitfield, F.B.,
Some novel meatlike aroma compounds from the reactions of alkanediones with hydrogen sulfide and fuanthiols,
J. Agric. Food Chem., 1995, 43, 1, 189-193, https://doi.org/10.1021/jf00049a035
. [all data]
Hofmann, Schieberle, et al., 1996
Hofmann, T.; Schieberle, P.; Grosch, W.,
Model studies on the oxidative stability of odor-active thiols occurring in food flavors,
J. Agric. Food Chem., 1996, 44, 1, 251-255, https://doi.org/10.1021/jf9500703
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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