4-tert-Butylcyclohexyl acetate

• Formula: C₁₂H₂₂O₂
• Molecular weight: 198.3019
• IUPAC Standard InChI: InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10?,11- Copy

  
• IUPAC Standard InChIKey: MBZRJSQZCBXRGK-CACVWKRDSA-N Copy
• CAS Registry Number: 32210-23-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • 4-tert-Butylcyclohexyl acetate
  • Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate, cis-
  • Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate, trans-
  • 4-tert butylcyclohexyl acetate 1
  • 4-tert-butylcyclohexyl acetate 2
• Other names: Acetic acid p-tert-butylcyclohexyl ester; Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate; p-tert-Butyl cyclohexyl acetate; Acetic acid, (4-tert-butylcyclohexyl) ester; Cyclohexanol, 4-tert-butyl-, acetate; Vertenex; 4-tert-Butylcyclohexanol acetate; 4-tert-Butylhexahydrophenyl acetate; 4-t-Butylcyclohexyl acetate; Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate; NSC 163103
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• Information on this page:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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

Kovats' RI, non-polar column, isothermal

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Van Den Dool and Kratz RI, non-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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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.

Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D., Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation, J. Chromatogr., 1999, 848, 1-2, 215-227, https://doi.org/10.1016/S0021-9673(99)00412-4 . [all data]

Chang, Sheng, et al., 1989
Chang, L.P.; Sheng, L.S.; Yang, M.Z.; An, D.K., Retention index of essential oil in temperature-programmed capillary column gas chromatography, Acta Pharm. Sin., 1989, 24, 11, 847-852. [all data]

Zellner, Bicchi, et al., 2008
Zellner, B.d'A.; Bicchi, C.; Dugo, P.; Rubiolo, P.; Dugo, G.; Mondello, L., Linear retention indices in gas chromatographic analysis: a review, Flavour Fragrance J., 2008, 23, 5, 297-314, https://doi.org/10.1002/ffj.1887 . [all data]

Mondello, 2012
Mondello, L., HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis) in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]

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

Notes

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