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CS-W001157 4
Total: USD 88.00

Isobutyl benzoate

  • CAS No. 120-50-3

  • Cat. No. CS-0187444
  • Purity≥98%
  • MDL No.None

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

Isobutyl benzoate|CS-0187444

Structure of 120-50-3

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General Information

  • CAS No. 120-50-3
  • Cat. No. CS-0187444
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) Isobutyl benzoate, (Benzoic acid isobutyl ester)
  • SMILES CC(C)COC(=O)C1=CC=CC=C1

Synthesis

  • Route1

    References

    • Dawar, Pankaj; Raju, M. Bagavan; Ramakrishna, Ramesha Andagar Synthetic Communications, 2014 , vol. 44, # 6 p. 836 - 846
  • Route2

    References

    • Heller, Stephen T.; Fu, Tingting; Sarpong, Richmond Organic Letters, 2012 , vol. 14, # 8 p. 1970 - 1973
  • Route3
    • null|null
      78-83-1
    • null|null
      98-88-4
    • ~92%
    • Isobutyl benzoate|CS-0187444
      120-50-3

    References

    • Szeja, Wieslaw Synthesis, 1980 , # 5 p. 402 - 403

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.4994
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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