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CS-W001157 4
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4-Propylcyclohexanone

  • CAS No. 40649-36-3

  • Cat. No. CS-W002273
  • Molecule weight140.22
  • Purity≥98%
  • MDL No.MFCD00058690

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

4-Propylcyclohexanone|CS-W002273

Structure of 40649-36-3

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General Information

  • CAS No. 40649-36-3
  • Cat. No. CS-W002273
  • Purity ≥98%
  • MDL No. MFCD00058690
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O
  • Molecular Weight 140.22
  • Synonym(s) 5-chloro-2-hydroxy-N-phenylbenzamide
  • SMILES CCCC1CCC(=O)CC1

Description

4-Propylcyclohexanone features a sterically hindered cyclohexanone core with a propyl substituent at the para position, enhancing its lipophilicity and structural rigidity. This configuration supports its use in synthetic routes requiring defined steric and electronic environments, particularly in the construction of complex cyclic frameworks under standard conditions.

Application

4-Propylcyclohexanone serves as a versatile building block in organic synthesis, offering a stable, bench-ready ketone functionality within a substituted cyclohexanone scaffold. Its alkyl substituent enhances lipophilicity and provides a defined steric profile, enabling predictable reactivity in enolate formation, aldol reactions, and reduction processes. The molecule functions effectively in multi-step sequences for heterocycle construction and natural product synthesis, with excellent compatibility in standard reaction conditions and straightforward purification via distillation or chromatography.

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-H317-H412
Precautionary Statements : P210-P261-P264-P272-P273-P280-P302+P352-P362-P370+P378-P501

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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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