2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

• Formula: C₁₂H₁₈O
• Molecular weight: 178.2707
• IUPAC Standard InChI: InChI=1S/C12H18O/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5,7,9H,4,6,8H2,1-3H3/b7-5+ Copy

  
• IUPAC Standard InChIKey: FLOPAOUVAMIAJN-FNORWQNLSA-N Copy
• CAS Registry Number: 4951-40-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-propenal; 2-Propenal, 3-(2,6,6-trimethylcyclohexen-1-yl); 3-(2,6,6-Trimethylcyclohexen-1-yl)-prop-2-enal; (2E)-2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-propenal; 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)acrylaldehyde
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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, non-polar column, custom temperature program

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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.

Ledauphin, Basset, et al., 2006
Ledauphin, J.; Basset, B.; Cohen, S.; Payot, T.; Barillier, D., Identification of trace volatile compounds in freshly distilled Calvados and Cognac: Carbonyl and sulphur compounds, J. Food Comp. Anal., 2006, 19, 1, 28-40, https://doi.org/10.1016/j.jfca.2005.03.001 . [all data]

Zenkevich, Kosman, et al., 1999
Zenkevich, I.G.; Kosman, V.M.; Tkachenko, K.G., Some Features of Quantitative Analysis of Essential Oil's Components in High Performance Liquid Chromatography, Rastitelnye Resursy (Plant resources), 1999, 35, 1, 128-137. [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W., Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry, J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x . [all data]

Notes

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