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CS-W001157 4
Total: USD 88.00

5-Methylisobenzofuran-1(3H)-one

  • CAS No. 54120-64-8

  • Cat. No. CS-0187163
  • Purity≥98%
  • MDL No.None

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

5-Methylisobenzofuran-1(3H)-one|CS-0187163

Structure of 54120-64-8

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General Information

  • CAS No. 54120-64-8
  • Cat. No. CS-0187163
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₂
  • Molecular Weight 148.16
  • Synonym(s) 5-Methylphthalide
  • SMILES CC1=CC2=C(C=C1)C(=O)OC2

Synthesis

  • Route1

    References

    • Wu, Xiongyu; Mahalingam; Wan, Yiqian; Alterman, Mathias Tetrahedron Letters, 2004 , vol. 45, # 24 p. 4635 - 4638
  • Route2
    • null|null
      63113-10-0
    • ~80%
    • In-stock
      5-Methylisobenzofuran-1(3H)-one|CS-0187163
      54120-64-8

    References

    • Neudeck Monatshefte fur Chemie, 1996 , vol. 127, # 2 p. 201 - 217
  • Route3
    • null|null
      134390-17-3
    • ~88%
    • In-stock
      5-Methylisobenzofuran-1(3H)-one|CS-0187163
      54120-64-8

    References

    • Padwa, Albert; Bullock, William H.; Norman, Bryan H.; Perumattam, John Journal of Organic Chemistry, 1991 , vol. 56, # 13 p. 4252 - 4259

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.66542
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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