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CS-W001157 4
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2-Methylcyclohexanecarboxylic acid

  • CAS No. 56586-13-1

  • Cat. No. CS-W018286
  • Purity≥95%
  • MDL No.MFCD00074907

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

2-Methylcyclohexanecarboxylic acid|CS-W018286

Structure of 56586-13-1

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General Information

  • CAS No. 56586-13-1
  • Cat. No. CS-W018286
  • Purity ≥95%
  • MDL No. MFCD00074907
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₂
  • Molecular Weight 142.20
  • Synonym(s) 6-Methyl-1-cyclohexanecarboxylic acid
  • SMILES O=C(C1C(C)CCCC1)O

Description

2-Methylcyclohexanecarboxylic acid is a sterically hindered cycloaliphatic carboxylic acid featuring a methyl group at the C2 position. This substitution enhances rigidity and modulates reactivity, making it valuable in asymmetric synthesis and as a chiral auxiliary scaffold. The compound exhibits good stability under standard conditions and integrates readily into complex molecular architectures.

Application

2-Methylcyclohexanecarboxylic acid serves as a versatile chiral building block in medicinal chemistry and natural product synthesis. Its cyclohexane core provides conformational rigidity, while the carboxylic acid functionality enables straightforward derivatization into amides, esters, and acyl chlorides. The adjacent methyl group enhances steric differentiation, improving selectivity in downstream transformations. Bench-stable and readily purified by recrystallization, it functions effectively in standard coupling reactions and heterocycle construction workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H227-H302-H318
Precautionary Statements : P210-P264-P270-P280-P330-P370+P378-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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