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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- Other data available:
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | BP-5 | DB-5 | DB-5 |
| Column length (m) | 50. | 30. | 30. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 1. | |
| Tstart (C) | 60. | 60. | 60. |
| Tend (C) | 250. | 250. | 250. |
| Heat rate (K/min) | 4. | 4. | 4. |
| Initial hold (min) | 5. | 5. | 5. |
| Final hold (min) | |||
| I | 1539. | 1544. | 1550. |
| Reference | Whitfield and Mottram, 1999 | Mottram, Madruga, et al., 1995 | Mottram, Madruga, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, 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]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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