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CS-W001157 4
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4-Isopropylcyclohexanol

  • CAS No. 4621-04-9

  • Cat. No. CS-0154260
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4-Isopropylcyclohexanol|CS-0154260

Structure of 4621-04-9

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General Information

  • CAS No. 4621-04-9
  • Cat. No. CS-0154260
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₈O
  • Molecular Weight 142.24
  • Synonym(s) p-Isopropylcyclohexanol
  • SMILES CC(C)C1CCC(CC1)O

Description

4-Isopropylcyclohexanol is a sterically hindered cyclohexanol derivative featuring a bulky isopropyl group at the para position. This substitution enhances stability and reduces reactivity in acidic environments. The molecule integrates readily into functionalized organic frameworks, serving as a robust chiral auxiliary or building block in synthetic methodologies requiring steric protection.

Application

4-Isopropylcyclohexanol serves as a stable, bench-ready chiral building block for cyclohexane-based scaffolds. Its tertiary alcohol functionality enables straightforward derivatization via esterification or oxidation, while the isopropyl group provides steric bulk and hydrophobic character useful in medicinal chemistry. The molecule exhibits good solubility in common organic solvents and tolerates a range of reaction conditions, facilitating its use in multi-step synthesis and scale-up applications.

Synthesis

  • Route1
    • null|null
      99-89-8
    • ~87%
    • In-stock
      4-Isopropylcyclohexanol|CS-0154260
      4621-04-9

    References

    • Lambert, Joseph B.; Ciro, Sol M. Journal of Organic Chemistry, 1996 , vol. 61, # 6 p. 1940 - 1945
  • Route2

    References

    • Carcenac, Yvan; Tordeux, Marc; Wakselman, Claude; Diter, Patrick New Journal of Chemistry, 2006 , vol. 30, # 3 p. 447 - 457
  • Route3

    References

    • DE478273 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 16, p. 649 Justus Liebigs Annalen der Chemie, , vol. 472, p. 34

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315
Precautionary Statements : P210-P264-P280-P302+P352-P362+P364-P370+P378-P403-P501

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.1935
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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