2,6,6-Trimethyl-2-cyclohexene-1,4-dione

• Formula: C₉H₁₂O₂
• Molecular weight: 152.1904
• IUPAC Standard InChI: InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: AYJXHIDNNLJQDT-UHFFFAOYSA-N Copy
• CAS Registry Number: 1125-21-9
• 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: 2-Cyclohexene-1,4-dione, 2,6,6-trimethyl-; 4-Oxoisophorone; 2,2,6-trimethylcyclohex-2-en-1,4-dione; 2,6,6-Trimethyl-2-cyclohexen-1,4-dione; 2,6,6-trimethylcyclohex-2-ene-1,4-dione; 2-Cyclohexen-1,4-dione, 2,6,6-trimethyl; 3,5,5-trimethyl-2-cyclohexene-1,4-dione; 3,5,5-Trimethylcyclohex-2-en-1,4-dione; 3,5,5-trimethylcyclohex-2-ene-1,4-dione; 4-Ketoisophorone; Ketoisophorone; Oxoisophorone; Oxopholone; 4-Oxo-α-isophorone; Oxophorone; Cyclohexen-1,4-dione, 2,6,6-trimethyl; 2,6,6-Trimethylcyclohex-2-en-1,4-dione; 2,2,6-Trimethylcyclohex-2-en-1,4-dione (4-oxoisophorone); 2,6,6-Trimethy-2-cyclohexene-1,4-dione (4-oxoisophorone); 2,2,6-trimethyl-2-cyclohexene-1,4-dione (cetoisophorone); 2,6,6-Trimethyl-2-cyclohexane-1,4-diene
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• Information on this page:
  • Normal alkane RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane RI, non-polar column, temperature ramp

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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

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R., Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae), Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962 . [all data]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

Frerot, Velluz, et al., 2008
Frerot, E.; Velluz, A.; Bagnoud, A.; Delort, E., Analysis of the volatile constituents of cooked petai beans (Parkia speciosa) using high-resolution GC/TOF-MS, Flav. Fragr. J., 2008, 23, 6, 434-440, https://doi.org/10.1002/ffj.1902 . [all data]

Füssel, Dötterl, et al., 2007
Füssel, U.; Dötterl, S.; Jürgens, A.; Aas, G., Inter- and intraspecific variation in floral scent in the genus Salix and its implication for pollination, J. Chem. Ecol., 2007, 33, 4, 749-765, https://doi.org/10.1007/s10886-007-9257-6 . [all data]

Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P., Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley, J. Essent. Oil. Res., 2006, 18, 2, 170-174, https://doi.org/10.1080/10412905.2006.9699058 . [all data]

Dötterl, Wolfe, et al., 2005
Dötterl, S.; Wolfe, L.M.; Jürgens, A., Qualitative and quantitative analyses of flower scent in Silene latifolia, Phytochemistry, 2005, 66, 2, 203-213, https://doi.org/10.1016/j.phytochem.2004.12.002 . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M., Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc., J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609 . [all data]

Kobaisy, Tellez, et al., 2002
Kobaisy, M.; Tellez, M.R.; Dayan, F.E.; Duke, S.O., Phytotoxicity and volatile constituents from leaves of Callicarpa japonica Thunb., Phytochemistry, 2002, 61, 1, 37-40, https://doi.org/10.1016/S0031-9422(02)00207-8 . [all data]

Tellez, Dayan, et al., 2000
Tellez, M.R.; Dayan, F.E.; Schrader, K.K.; Wedge, D.E.; Duke, S.O., Composition and some biological activities of the essential oils of Callicarpa Americana (L.), J. Agric. Food Chem., 2000, 48, 7, 3008-3012, https://doi.org/10.1021/jf991026g . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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