Cyclohexanol, 4-(1,1-dimethylethyl)-

• Formula: C₁₀H₂₀O
• Molecular weight: 156.2652
• IUPAC Standard InChI: InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: CCOQPGVQAWPUPE-UHFFFAOYSA-N Copy
• CAS Registry Number: 98-52-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • Cyclohexanol, 4-(1,1-dimethylethyl)-, trans-
  • Cyclohexanol, 4-(1,1-dimethylethyl)-, cis-
• Other names: Cyclohexanol, 4-tert-butyl-; p-tert-Butylcyclohexanol; 4-tert-Butylcyclohexanol; 4-tert-Butylcyclohexanol,c&t; USAF do-20; Padaryl; 4-t-Butylcyclohexanol
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Phase change 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 by: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

=

By formula: C₁₀H₂₀O = C₁₀H₂₀O

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

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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Kovats' RI, polar column, isothermal

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Normal alkane RI, non-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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Maes, Ottinger, et al., 1969
Maes, M.; Ottinger, R.; Reisse, J.; Chiurdoglu, G., Determination of the thermodynamic quantities (ΔG°, ΔH°, and ΔS°), characteristic of epimerization equilibriums of 4-tert-butylcyclohexanols, trans-2-decalols, and cis-6-tert-butyl-cis-decalols, Tetrahedron Lett., 1969, 335-338. [all data]

Pascal, Heintz, et al., 1974
Pascal, J.C.; Heintz, M.; Druilhe, A.; Lefort, D., Relations entre structure chimique et grandeurs de rétention. III. Stéréoisomères cyclohexaniques, Chromatographia, 1974, 7, 5, 236-245, https://doi.org/10.1007/BF02321774 . [all data]

Congiu, Falconieri, et al., 2002
Congiu, R.; Falconieri, D.; Marongiu, B.; Piras, A.; Porcedda, S., Extraction and isolation of Pistacia lentiscus L. essential oil by supercritical CO₂, Flavour Fragr. J., 2002, 17, 4, 239-244, https://doi.org/10.1002/ffj.1095 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔrH°	Enthalpy of reaction at standard conditions

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