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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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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 | Capillary |
|---|---|---|---|---|
| Active phase | SLB-5 MS | SLB-5 MS | SLB-5MS | SE-30 |
| Column length (m) | 30. | 30. | 10. | |
| Carrier gas | Helium | Helium | Helium | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.18 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.18 | |
| Program | 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) | not specified | not specified | not specified |
| I | 801. | 800. | 773. | 777. |
| Reference | Costa, De Fina, et al., 2008 | Costa, De Fina, et al., 2008 | Risticevic, Carasek, et al., 2008 | Vinogradov, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L.,
An investigation on the volatile composition of some Artemisia species from Iran,
Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919
. [all data]
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]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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