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CS-W001157 4
Total: USD 88.00

Cyclohexylacetone

  • CAS No. 103-78-6

  • Cat. No. CS-0155063
  • Purity≥95%
  • MDL No.MFCD00019396

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

Cyclohexylacetone|CS-0155063

Structure of 103-78-6

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General Information

  • CAS No. 103-78-6
  • Cat. No. CS-0155063
  • Purity ≥95%
  • MDL No. MFCD00019396
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O
  • Molecular Weight 140.22
  • Synonym(s) Cyclohexylacetone, (Acetonylcyclohexane)
  • SMILES CC(=O)CC1CCCCC1

Description

Cyclohexylacetone is a cyclic ketone featuring a pendant acetyl group, offering enhanced solubility in organic solvents and stability under standard bench conditions. This structure facilitates efficient incorporation into synthetic pathways requiring moderate steric bulk and controlled reactivity.

Application

Cyclohexylacetone serves as a versatile building block in organic synthesis, enabling the construction of complex cyclic and acyclic frameworks. Its ketone functionality facilitates nucleophilic addition, reduction, and enolate chemistry under standard conditions. The cyclohexyl moiety imparts structural rigidity and lipophilicity, making it valuable in medicinal chemistry and fragrance development. Bench-stable and amenable to purification via distillation or chromatography, it functions reliably in multi-step syntheses.

Synthesis

  • Route1
    • null|null
      103-79-7
    • ~89%
    • In-stock
      Cyclohexylacetone|CS-0155063
      103-78-6

    References

    • Gonzalez-Galvez, David; Lara, Patricia; Rivada-Wheelaghan, Orestes; Conejero, Salvador; Chaudret, Bruno; Philippot, Karine; Van Leeuwen, Piet W.N.M. Catalysis Science and Technology, 2013 , vol. 3, # 1 p. 99 - 105
  • Route2
    • In-stock
      Cyclohexaneacetic acid|CS-W019439
      5292-21-7
    • null|null
      917-54-4
    • ~78%
    • In-stock
      Cyclohexylacetone|CS-0155063
      103-78-6

    References

    • Genna, Douglas T.; Posner, Gary H. Organic Letters, 2011 , vol. 13, # 19 p. 5358 - 5361
  • Route3
    • In-stock
      Allylcyclohexane|CS-0204332
      2114-42-3
    • ~0%
    • In-stock
      Cyclohexylacetone|CS-0155063
      103-78-6
    • null|null
      4361-28-8

    References

    • Wickens, Zachary K.; Morandi, Bill; Grubbs, Robert H. Angewandte Chemie - International Edition, 2013 , vol. 52, # 43 p. 11257 - 11260 Angew. Chem., 2013 , vol. 125, # 43 p. 11467 - 11470

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H319-H402-H412
Precautionary Statements : P264-P270-P273-P280-P305+P351+P338-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.5458
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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