2,4-Heptanedione, 6-methyl-
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChI: InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3
- IUPAC Standard InChIKey: IGMOYJSFRIASIE-UHFFFAOYSA-N
- CAS Registry Number: 3002-23-1
- 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: 6-Methyl-2,4-heptanedione; 6-Methylheptane-2,4-dione; 6-Methylheptan-2,4-dione
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-5 | 130. | 1028.7 | Mijin and Antonovic, 2004 | 60. m/0.321 mm/0.25 μm, N2 |
| Capillary | DB-5 | 150. | 1032.09 | Mijin and Antonovic, 2004 | 60. m/0.321 mm/0.25 μm, N2 |
| Capillary | DB-5 | 170. | 1033.26 | Mijin and Antonovic, 2004 | 60. m/0.321 mm/0.25 μm, N2 |
| Capillary | DB-5 | 190. | 1036.02 | Mijin and Antonovic, 2004 | 60. m/0.321 mm/0.25 μm, N2 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1036. | Aaslyng, Elmore, et al., 1998 | 50. m/0.32 mm/0.50 μm, He, 4. K/min; Tstart: 40. C; Tend: 280. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1000. | Schultz, Kaiser, et al., 1999 | 4. K/min; Tstart: 50. C; Tend: 260. C |
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.
Mijin and Antonovic, 2004
Mijin, D.Z.; Antonovic, D.G.,
Temperature dependence of the Kovats retention indices for alkyl 1,3-diketones on a DB-5 capillary column,
J. Serb. Chem. Soc., 2004, 69, 10, 759-767, https://doi.org/10.2298/JSC0410759M
. [all data]
Aaslyng, Elmore, et al., 1998
Aaslyng, M.D.; Elmore, J.S.; Mottram, D.S.,
Comparison of the aroma characteristics of acid-hydrolyzed and enzyme-hydrolyzed vegetable proteins produced from soy,
J. Agric. Food Chem., 1998, 46, 12, 5225-5231, https://doi.org/10.1021/jf9806816
. [all data]
Schultz, Kaiser, et al., 1999
Schultz, K.; Kaiser, R.; Knudsen, J.T.,
Cyclanthone and derivatives, new natural products in the flower scent of Cyclanthus bipartitus Poit.,
Flavour Fragr. J., 1999, 14, 3, 185-190, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<185::AID-FFJ809>3.0.CO;2-7
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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