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Benzyl 2,2-dimethylbut-3-ynoate

  • CAS No. 204588-77-2

  • Cat. No. CS-0333670
  • Purity95+%
  • MDL No.None

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

Benzyl 2,2-dimethylbut-3-ynoate|CS-0333670

Structure of 204588-77-2

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General Information

  • CAS No. 204588-77-2
  • Cat. No. CS-0333670
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O₂
  • Molecular Weight 202.25
  • Synonym(s) 3-Butynoic acid, 2,2-diMethyl-, phenylMethyl ester
  • SMILES C#CC(C)(C)C(=O)OCC1=CC=CC=C1

Synthesis

  • Route1

    References

    • Murphy, Paul V.; Hubbard, Rod E.; Manallack, David T.; Wills, Ruth E.; Montana, John G.; Taylor, Richard J. K. Bioorganic and Medicinal Chemistry, 1998 , vol. 6, # 12 p. 2421 - 2439

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-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.3892
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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