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CS-W001157 4
Total: USD 88.00

3,3-Dimethylisobenzofuran-1(3H)-one

  • CAS No. 1689-09-4

  • Cat. No. CS-0173731
  • Purity≥98%
  • MDL No.MFCD00222552

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

3,3-Dimethylisobenzofuran-1(3H)-one|CS-0173731

Structure of 1689-09-4

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General Information

  • CAS No. 1689-09-4
  • Cat. No. CS-0173731
  • Purity ≥98%
  • MDL No. MFCD00222552
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₂
  • Molecular Weight 162.19
  • Synonym(s) 3,3-dimethylphthalide
  • SMILES O=C1OC(C)(C)C2=C1C=CC=C2

Synthesis

  • Route1

    References

    • Kadnikov, Dmitry V.; Larock, Richard C. Mendeleev Communications, 2007 , vol. 17, # 2 p. 74 - 76
  • Route2

    References

    • Allergan, Inc. Patent: US2004/19098 A1, 2004 ;
  • Route3
    • 2-(2-(Hydroxymethyl)phenyl)propan-2-ol|CS-0510646
      55549-01-4
    • ~77%
    • 3,3-Dimethylisobenzofuran-1(3H)-one|CS-0173731
      1689-09-4

    References

    • Beebe, Thomas R.; Adkins, Rick; Baldridge, Ruth; Hensley, Vivian; McMillen, Doug; et al. Journal of Organic Chemistry, 1987 , vol. 52, # 24 p. 5472 - 5474

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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0921
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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