2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-

• Formula: C₁₃H₂₀O
• Molecular weight: 192.2973
• IUPAC Standard InChI: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-6H,7-9H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: SQFRYZPEWOZAKJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 20483-36-7
• 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.
• Species with the same structure:
  • Dihydrodehydro-α-ionone
• Other names: 4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)butan-2-one; 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone; 4-(2,6,6-trimethyl cyclohexa-1,3-dienyl) butane-2-one; Dihydrodehydro-β-ionone; 7,8-Dihydro-3,4-dehydro-β-ionone; 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)butan-2-one; 3,4-didehydro-7,8-dihydro-β-ionone; iso-β-ionone 4(2,6,6-trimethyl-1,3,cyclo-hexadienyl) butan-2-one
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
• Options:
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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, polar column, temperature ramp

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, polar column, temperature ramp

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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.

Winterhalter, 1991
Winterhalter, P., 1,1,6-Trimethyl-1,2-dihydronaphthalene (TDN) Formation in Wine. 1. Studies on the Hydrolysis of 2,6,10,10-Tetramethyl-l-oxaspiro[4.5]dec-6-ene-2,8-diol Rationalizing the Origin of TDN and Related C₁₃ Norisoprenoids in Riesling Wine, J. Agric. Food Chem., 1991, 39, 10, 1825-1829, https://doi.org/10.1021/jf00010a027 . [all data]

Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P., Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method, Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683 . [all data]

Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F., Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device, Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5 . [all data]

Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F., Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria, Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008 . [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]

Notes

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