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CS-W001157 4
Total: USD 88.00

Ethyl 3-(4-isopropylphenyl)-3-oxopropanoate

  • CAS No. 54957-66-3

  • Cat. No. CS-0361481
  • Purity95+%
  • MDL No.None

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

Ethyl 3-(4-isopropylphenyl)-3-oxopropanoate|CS-0361481

Structure of 54957-66-3

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General Information

  • CAS No. 54957-66-3
  • Cat. No. CS-0361481
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈O₃
  • Molecular Weight 234.29
  • Synonym(s) Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate
  • SMILES CCOC(=O)CC(=O)C1=CC=C(C=C1)C(C)C

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
    • null|null
      64-17-5
    • null|null
      106353-53-1
    • ~79%
    • Ethyl 3-(4-isopropylphenyl)-3-oxopropanoate|CS-0361481
      54957-66-3

    References

    • Armati, Antonella; Ruggieri, Pietro De; Rossi, Elisabetta; Stradi, Riccardo Synthesis, 1986 , # 7 p. 573 - 576
  • Route3

    References

    • Armati, Antonella; Ruggieri, Pietro De; Rossi, Elisabetta; Stradi, Riccardo Synthesis, 1986 , # 7 p. 573 - 576

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.9459
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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