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CS-W001157 4
Total: USD 88.00

Ethyl cyclohexanecarboxylate

  • CAS No. 3289-28-9

  • Cat. No. CS-0187422
  • Purity≥97%
  • MDL No.None

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

Ethyl cyclohexanecarboxylate|CS-0187422

Structure of 3289-28-9

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General Information

  • CAS No. 3289-28-9
  • Cat. No. CS-0187422
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₂
  • Molecular Weight 156.22
  • Synonym(s) Ethyl cyclohexane carboxylate
  • SMILES CCOC(=O)C1CCCCC1

Description

Ethyl cyclohexanecarboxylate serves as a versatile building block in synthetic organic chemistry, featuring a rigid cyclohexane ring that imparts conformational stability. The ester functionality enables straightforward derivatization, while the alkyl chain provides a hydrophobic handle for further functionalization. This compound is bench-stable and compatible with standard reaction conditions.

Application

Ethyl cyclohexanecarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted cyclohexane scaffolds. Its ester functionality supports diverse transformations including hydrolysis, reduction, and coupling reactions, while the rigid cyclohexane ring provides defined stereochemical control. The compound exhibits excellent bench stability and is compatible with standard reaction conditions, facilitating purification and integration into multi-step syntheses for pharmaceutical intermediates and agrochemicals.

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 : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.1298
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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