2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl-

Formula: C₈H₈O₂
Molecular weight: 136.1479
IUPAC Standard InChI: InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
IUPAC Standard InChIKey: SENUUPBBLQWHMF-UHFFFAOYSA-N
CAS Registry Number: 527-61-7
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: p-Benzoquinone, 2,6-dimethyl-; m-Xyloquinone; 2,6-Dimethyl-p-benzoquinone; 2,6-Dimethyl-1,4-benzoquinone; 2,6-Dimethyl-1,4-quinone; 2,6-Dimethylbenzoquinone; 2,6-Dimethylquinone; 2,6-Xyloquinone; 2,6-Dimethylbenzo-1,4-quinone; 2,6-Dimethyl-2,5-cyclohexadien-1,4-dione; 3,5-Dimethylbenzoquinone; NSC 17549; 2,6-Dimethyl-2,5-cycloxehadien-1,4-dione
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Gas Chromatography

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
Packed	SE-30	180.	1113.	Llobera and García-Raso, 1987	N2, Chromosorb P AW DMCS; Column length: 2. m
Packed	SE-30	190.	1119.	Llobera and García-Raso, 1987	N2, Chromosorb P AW DMCS; Column length: 2. m
Packed	SE-30	200.	1125.	Llobera and García-Raso, 1987	N2, Chromosorb P AW DMCS; Column length: 2. m
Packed	SE-30	210.	1130.	Llobera and García-Raso, 1987	N2, Chromosorb P AW DMCS; Column length: 2. m

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	180.	1681.	Llobera and García-Raso, 1987	N2, Chromosorb P AW DMCS (60-80 mesh); Column length: 2. m
Packed	Carbowax 20M	190.	1686.	Llobera and García-Raso, 1987	N2, Chromosorb P AW DMCS (60-80 mesh); Column length: 2. m
Packed	Carbowax 20M	200.	1695.	Llobera and García-Raso, 1987	N2, Chromosorb P AW DMCS (60-80 mesh); Column length: 2. m
Packed	Carbowax 20M	210.	1703.	Llobera and García-Raso, 1987	N2, Chromosorb P AW DMCS (60-80 mesh); Column length: 2. m

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	FFAP	1711.	Budryn, Nebesny, et al., 2011	30. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 5. min, 4. K/min, 250. C @ 45. min
Capillary	FFAP	1711.	Nebesny, Budryn, et al., 2007	30. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min

References

Go To: Top, Gas Chromatography, Notes

Llobera and García-Raso, 1987
Llobera, A.; García-Raso, A., Gas chromatographic behaviour of several p-quinones, J. Chromatogr., 1987, 393, 2, 305-311, https://doi.org/10.1016/S0021-9673(01)94227-X . [all data]

Budryn, Nebesny, et al., 2011
Budryn, G.; Nebesny, E.; Kula, J.; Majda, T.; Krysiak, W., HS-SPME/GC/MS Profiles of convectively and microwave roasted Ivory Coast Robusta coffee brews, Czech. J. Food Sci., 2011, 29, 2, 151-160. [all data]

Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T., The effect of roasting method on headspace composition of robusta coffee bean aroma, Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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