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Ethyl 3-(4-ethylphenyl)-3-oxopropanoate

  • CAS No. 51725-80-5

  • Cat. No. CS-0361480
  • Molecule weight220.26
  • Purity≥95%
  • MDL No.None

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

Ethyl 3-(4-ethylphenyl)-3-oxopropanoate|CS-0361480

Structure of 51725-80-5

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General Information

  • CAS No. 51725-80-5
  • Cat. No. CS-0361480
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₃
  • Molecular Weight 220.26
  • Synonym(s) Benzenepropanoic acid, 4-ethyl-β-oxo-, ethyl ester
  • SMILES CCC1=CC=C(C=C1)C(=O)CC(=O)OCC

Synthesis

  • Route1

    References

    • Boyd, Steven A.; Mantei, Robert A.; Tasker, Andrew S.; Liu, Gang; Sorensen, Bryan K.; Henry Jr., Kenneth J.; Von Geldern, Thomas W.; Winn, Martin; Wu-Wong, Jinshyun R.; Chiou, William J.; Dixon, Douglas B.; Hutchins, Charles W.; Marsh, Kennan C.; Nguyen, Bach; Opgenorth, Terry J. Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 6 p. 991 - 1002

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

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.3849
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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