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CS-W001157 4
Total: USD 88.00

Ethyl 2,2-dimethyl-3-phenylpropanoate

  • CAS No. 94800-92-7

  • Cat. No. CS-0573525
  • Purity≥98%
  • MDL No.None

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

Ethyl 2,2-dimethyl-3-phenylpropanoate|CS-0573525

Structure of 94800-92-7

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General Information

  • CAS No. 94800-92-7
  • Cat. No. CS-0573525
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₂
  • Molecular Weight 206.28
  • Synonym(s) α,α-DiMethyl-benzenepropanoic Acid Ethyl Ester
  • SMILES CCOC(=O)C(C)(C)CC1=CC=CC=C1

Synthesis

  • Route1

    References

    • Angewandte Chemie - International Edition, , vol. 46, # 27 p. 5178 - 5183
  • Route2
    • null|null
      943586-01-4
    • ~70%
    • Ethyl 2,2-dimethyl-3-phenylpropanoate|CS-0573525
      94800-92-7

    References

    • Murphy, John A.; Zhou, Sheng-Ze; Thomson, Douglas W.; Schoenebeck, Franziska; Mahesh, Mohan; Park, Stuart R.; Tuttle, Tell; Berlouis, Leonard E. A. Angewandte Chemie - International Edition, 2007 , vol. 46, # 27 p. 5178 - 5183
  • Route3
    • null|null
      600-00-0
    • null|null
      100-39-0
    • ~55%
    • Ethyl 2,2-dimethyl-3-phenylpropanoate|CS-0573525
      94800-92-7

    References

    • Hoechst Aktiengesellschaft Patent: US5100887 A1, 1992 ;

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.8184
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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