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CS-W001157 4
Total: USD 88.00

3,3-Bis(4-hydroxy-2-isopropyl-5-methylphenyl)isobenzofuran-1(3H)-one

  • CAS No. 6869-00-7

  • Cat. No. CS-WAA0317
  • Molecule weight430.54
  • Purity≥98%
  • MDL No.None

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

3,3-Bis(4-hydroxy-2-isopropyl-5-methylphenyl)isobenzofuran-1(3H)-one|CS-WAA0317

Structure of 6869-00-7

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General Information

  • CAS No. 6869-00-7
  • Cat. No. CS-WAA0317
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₈H₃₀O₄
  • Molecular Weight 430.54
  • Synonym(s) 3,3-bis(4-hydroxy-5-methyl-2-propan-2-ylphenyl)-2-benzofuran-1-one
  • SMILES O=C1OC(C2=CC(C)=C(O)C=C2C(C)C)(C3=CC(C)=C(O)C=C3C(C)C)C4=C1C=CC=C4

Synthesis

  • Route1

    References

    • Hubacher Journal of the American Chemical Society, 1942 , vol. 64, p. 2538

Safety Information

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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   66.76
  • LogP   6.42374
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   4

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