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Ethyl 3-(2,4-dimethylphenyl)-3-oxopropanoate

  • CAS No. 51725-81-6

  • Cat. No. CS-0122115
  • Molecule weight220.26
  • Purity≥98%
  • MDL No.MFCD07783528

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

Ethyl 3-(2,4-dimethylphenyl)-3-oxopropanoate|CS-0122115

Structure of 51725-81-6

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General Information

  • CAS No. 51725-81-6
  • Cat. No. CS-0122115
  • Purity ≥98%
  • MDL No. MFCD07783528
  • 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, 2,4-dimethyl-β-oxo-, ethyl ester
  • SMILES O=C(OCC)CC(C1=CC=C(C)C=C1C)=O

Synthesis

  • Route1

    References

    • Zhu, Youquan; Zou, Xiaomao; Hu, Fangzhong; Yao, Changsheng; Liu, Bin; Yang, Huazheng Journal of Agricultural and Food Chemistry, 2005 , vol. 53, # 24 p. 9566 - 9570
  • Route2
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      21900-42-5
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    • Ethyl 3-(2,4-dimethylphenyl)-3-oxopropanoate|CS-0122115
      51725-81-6

    References

    • Wojack,G. Diss. <T. H. Berlin 1932> S. 66

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   2.43934
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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