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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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | SLB-5MS | HP-1 |
| Column length (m) | 10. | 50. |
| Carrier gas | Helium | |
| Substrate | ||
| Column diameter (mm) | 0.18 | 0.2 |
| Phase thickness (μm) | 0.18 | 0.33 |
| Tstart (C) | 40. | 60. |
| Tend (C) | 295. | 250. |
| Heat rate (K/min) | 10. | 2. |
| Initial hold (min) | 1.5 | |
| Final hold (min) | 10. | |
| I | 804. | 777. |
| Reference | Risticevic, Carasek, et al., 2008 | Antoniotti, Alezra, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J.,
Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee,
Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009
. [all data]
Antoniotti, Alezra, et al., 2004
Antoniotti, S.; Alezra, N.; Fernandez, X.; Duñach, E.,
Catalytic epoxide oxidation: a novel access to flavouring and odorant α-diketones,
Flavour Fragr. J., 2004, 19, 5, 373-381, https://doi.org/10.1002/ffj.1371
. [all data]
Notes
Go To: Top, Normal alkane 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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