Cyclohexanecarboxaldehyde

• Formula: C₇H₁₂O
• Molecular weight: 112.1696
• IUPAC Standard InChI: InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2 Copy

  
• IUPAC Standard InChIKey: KVFDZFBHBWTVID-UHFFFAOYSA-N Copy
• CAS Registry Number: 2043-61-0
• 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: Cyclohexanal; Cyclohexanaldehyde; Cyclohexanealdehyde; Cyclohexylcarboxaldehyde; Cyclohexylformaldehyde; Formylcyclohexane; 1-Formylcyclohexane; Cyclohexane-1-carboxaldehyde; Cyclohexanecarbaldehyde; Cyclohexylmethanal; Hexahydrobenzaldehyde; 1-Cyclohexanecarboxaldehyde; NSC 68509
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• Information on this page:
  • Gas phase ion energetics data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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Gas phase ion energetics data

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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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C₇H₁₂O⁺ (ion structure unspecified)

Ionization energy determinations

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, non-polar column, custom temperature program

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Van Den Dool and Kratz RI, polar column, custom temperature program

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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.

Splitter and Calvin, 1982
Splitter, J.S.; Calvin, M., Conformational dependence in the mass spectrum of cyclohexanecarboxaldehyde, J. Org. Chem., 1982, 47, 4545. [all data]

Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R., Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington, J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721 . [all data]

Notes

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