3,4-Hexanedione
- Formula: C6H10O2
- Molecular weight: 114.1424
- IUPAC Standard InChI: InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
- IUPAC Standard InChIKey: KVFQMAZOBTXCAZ-UHFFFAOYSA-N
- CAS Registry Number: 4437-51-8
- 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: Bipropionyl; 3,4-Hexandione; hexane-3,4-dione
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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 | BPX-5 | BP-5 | BP-5 |
| Column length (m) | 50. | 50. | 50. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 60. | 60. | 60. |
| Tend (C) | 250. | 250. | 250. |
| Heat rate (K/min) | 4. | 4. | 4. |
| Initial hold (min) | 5. | 5. | |
| Final hold (min) | 10. | ||
| I | 816. | 800. | 800. |
| Reference | Ames, Guy, et al., 2001 | Whitfield and Mottram, 2001 | Whitfield and Mottram, 1999 |
| 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.
Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH, temperature, and moisture on the formation of volatile compounds in glycine/glucose model systems,
J. Agric. Food Chem., 2001, 49, 9, 4315-4323, https://doi.org/10.1021/jf010198m
. [all data]
Whitfield and Mottram, 2001
Whitfield, F.B.; Mottram, D.S.,
Heterocyclic volatiles formed by heating cysteine or hydrogen sulfide with 4-hydroxy-5-methyl-3(2H)-furanone at pH 6.5,
J. Agric. Food Chem., 2001, 49, 2, 816-822, https://doi.org/10.1021/jf0008644
. [all data]
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]
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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