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CS-W001157 4
Total: USD 88.00

tert-Butyl benzoate

  • CAS No. 774-65-2

  • Cat. No. CS-0154844
  • Molecule weight178.23
  • Purity≥97%
  • MDL No.MFCD00048244

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

tert-Butyl benzoate|CS-0154844

Structure of 774-65-2

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General Information

  • CAS No. 774-65-2
  • Cat. No. CS-0154844
  • Purity ≥97%
  • MDL No. MFCD00048244
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) Benzoic Acid tert-Butyl Ester
  • SMILES CC(C)(C)OC(=O)C1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      3459-80-1
    • ~81%
    • In-stock
      tert-Butyl benzoate|CS-0154844
      774-65-2

    References

    • Ochiai, Masahito; Ito, Takao; Takahashi, Hideo; Nakanishi, Akinobu; Toyonari, Mika; Sueda, Takuya; Goto, Satoru; Shiro, Motoo Journal of the American Chemical Society, 1996 , vol. 118, # 33 p. 7716 - 7730
  • Route2
    • null|null
      98-88-4
    • null|null
      75-65-0
    • ~94%
    • In-stock
      tert-Butyl benzoate|CS-0154844
      774-65-2

    References

    • Jia, Xueshun; Zhu, Li; Li, Qing; Li, Jian; Li, Dafeng; Li, Shaoyu Journal of Chemical Research, 2007 , # 4 p. 203 - 204
  • Route3
    • null|null
      100-52-7
    • null|null
      75-65-0
    • ~96%
    • In-stock
      tert-Butyl benzoate|CS-0154844
      774-65-2

    References

    • Amati, Alessandro; Dosualdo, Gabriele; Zhao, Lihua; Bravo, Anna; Fontana, Francesca; Minisci, Francesco; Bjorsvik, Hans-Rene Organic Process Research and Development, 1998 , vol. 2, # 4 p. 261 - 269

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315
Precautionary Statements : P210-P264-P280-P302+P352-P362+P364-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.6419
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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