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CS-W001157 4
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4-Methylcyclohexane-1-carboxylic acid

  • CAS No. 4331-54-8

  • Cat. No. CS-0096911
  • Molecule weight142.20
  • Purity≥98%
  • MDL No.MFCD00074909

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

4-Methylcyclohexane-1-carboxylic acid|CS-0096911

Structure of 4331-54-8

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General Information

  • CAS No. 4331-54-8
  • Cat. No. CS-0096911
  • Purity ≥98%
  • MDL No. MFCD00074909
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₂
  • Molecular Weight 142.20
  • Synonym(s) 4-Methylcyclohexanecarboxylic acid
  • SMILES O=C(C1CCC(C)CC1)O

Description

4-Methylcyclohexane-1-carboxylic acid features a rigid cyclohexane core with a methyl group and carboxylic acid moiety in axial orientation, enabling selective functionalization. This structural arrangement imparts enhanced stability and defined stereochemistry, making it valuable for synthesizing chiral intermediates in pharmaceutical and agrochemical development under standard bench conditions.

Application

4-Methylcyclohexane-1-carboxylic acid serves as a versatile building block in medicinal chemistry and organic synthesis, offering a rigid, lipophilic cyclohexane scaffold with a pendant carboxylic acid for derivatization. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient access to esters, amides, and other functionalized analogs. The molecule functions effectively in the construction of bioactive heterocycles and API intermediates requiring defined stereochemistry and metabolic stability.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8973
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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