1,2-Cyclohexanedione

Formula: C₆H₈O₂
Molecular weight: 112.1265
IUPAC Standard InChI: InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
IUPAC Standard InChIKey: OILAIQUEIWYQPH-UHFFFAOYSA-N
CAS Registry Number: 765-87-7
Chemical structure:
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Other names: 1,2-Dioxocyclohexane; Cyclohexane-1,2-dione; 1,2-Cyclohexadione; c-hexane-1,2-dione
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1668.	Moon and Shibamoto, 2010	60. m/0.25 mm/0.50 μm, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min

References

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Moon and Shibamoto, 2010
Moon, J.-K.; Shibamoto, T., Formation of volatile chemicals from thermal degradation of less volatile cofee components: quinic acid, caffeic acid, and chlorogenic acid, J. Agric. Food Chem., 2010, 58, 9, 5465-5470, https://doi.org/10.1021/jf1005148 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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