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CS-W001157 4
Total: USD 88.00

4-(Ethoxycarbonyl)-1-cyclohexanone

  • CAS No. 17159-79-4

  • Cat. No. CS-W009093
  • Purity≥97%
  • MDL No.MFCD00013285

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

4-(Ethoxycarbonyl)-1-cyclohexanone|CS-W009093

Structure of 17159-79-4

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General Information

  • CAS No. 17159-79-4
  • Cat. No. CS-W009093
  • Purity ≥97%
  • MDL No. MFCD00013285
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₃
  • Molecular Weight 170.21
  • Synonym(s) None
  • SMILES O=C1CCC(C(OCC)=O)CC1

Description

4-(Ethoxycarbonyl)-1-cyclohexanone features a cyclohexanone core functionalized with an ethoxycarbonyl group, enabling direct integration into synthetic routes requiring β-keto ester reactivity. This bench-stable compound serves as a key intermediate for constructing cyclic frameworks via aldol condensations and Michael additions.

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-H315-H319-H335
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   43.37
  • LogP   1.3088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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