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CS-W001157 4
Total: USD 88.00

Tert-butyl hexanoate

  • CAS No. 2492-18-4

  • Cat. No. CS-0516742
  • Purity≥98%
  • MDL No.None

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

Tert-butyl hexanoate|CS-0516742

Structure of 2492-18-4

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General Information

  • CAS No. 2492-18-4
  • Cat. No. CS-0516742
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₂₀O₂
  • Molecular Weight 172.26
  • Synonym(s) Hexanoic acid, 1,1-dimethylethyl ester
  • SMILES CCCCCC(OC(C)(C)C)=O

Synthesis

  • Route1
    • null|null
      540-88-5
    • null|null
      71-36-3
    • ~60%
    • Tert-butyl hexanoate|CS-0516742
      2492-18-4

    References

    • Iuchi, Yosuke; Obora, Yasushi; Ishii, Yasutaka Journal of the American Chemical Society, 2010 , vol. 132, p. 2536 - 2537
  • Route2
    • null|null
      540-88-5
    • null|null
      71-36-3
    • ~65%
    • null|null
      123-86-4
    • Tert-butyl hexanoate|CS-0516742
      2492-18-4

    References

    • Iuchi, Yosuke; Obora, Yasushi; Ishii, Yasutaka Journal of the American Chemical Society, 2010 , vol. 132, p. 2536 - 2537
  • Route3
    • null|null
      542-69-8
    • null|null
      540-88-5
    • ~%
    • Tert-butyl hexanoate|CS-0516742
      2492-18-4

    References

    • Rathke,M.W.; Lindert,A. Journal of the American Chemical Society, 1971 , vol. 93, # 9 p. 2318 - 2320

Safety Information

Download SDS
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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.9084
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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