1,2-Cyclopentanedione, 3-methyl-
- Formula: C6H8O2
- Molecular weight: 112.1265
- IUPAC Standard InChI: InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
- IUPAC Standard InChIKey: OACYKCIZDVVNJL-UHFFFAOYSA-N
- CAS Registry Number: 765-70-8
- 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: 3-Methyl-1,2-cyclopentanedione; 3-Methylcyclopentane-1,2-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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1043. | Hill, Isaacs, et al., 1999 | 50. m/0.325 mm/0.5 μm, He, 20. C @ 2. min, 4. K/min, 250. C @ 10. min |
| Capillary | BPX-5 | 1043. | Hill, Isaacs, et al., 1999 | 50. m/0.325 mm/0.5 μm, He, 20. C @ 2. min, 4. K/min, 250. C @ 10. min |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1781. | Fujioka and Shibamoto, 2006 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 200. C @ 90. min; Tstart: 50. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hill, Isaacs, et al., 1999
Hill, V.M.; Isaacs, N.S.; Ledward, D.A.; Ames, J.M.,
Effect of high hydrostatic pressure on the volatile components of a glucose-lysine model system,
J. Agric. Food Chem., 1999, 47, 9, 3675-3681, https://doi.org/10.1021/jf990124z
. [all data]
Fujioka and Shibamoto, 2006
Fujioka, K.; Shibamoto, T.,
Quantitation of volatiles and nonvolatile acids in an extract from coffee beverages: correlation with antioxidant activity,
J. Agric. Food Chem., 2006, 54, 16, 6054-6058, https://doi.org/10.1021/jf060460x
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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