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CS-W001157 4
Total: USD 88.00

2-(tert-Butyl)-5-hydroxycyclohexa-2,5-diene-1,4-dione

  • CAS No. 4857-70-9

  • Cat. No. CS-0438496
  • Purity≥98%
  • MDL No.None

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

2-(tert-Butyl)-5-hydroxycyclohexa-2,5-diene-1,4-dione|CS-0438496

Structure of 4857-70-9

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General Information

  • CAS No. 4857-70-9
  • Cat. No. CS-0438496
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) 4-Tert-butyl-5-hydroxycyclohexa-3,5-diene-1,2-dione
  • SMILES O=C1C(C(C)(C)C)=CC(C(O)=C1)=O

Synthesis

  • Route1
    • 4-(Tert-butyl)benzene-1,3-diol|CS-0468917
      2206-50-0
    • ~89%
    • In-stock
      2-(tert-Butyl)-5-hydroxycyclohexa-2,5-diene-1,4-dione|CS-0438496
      4857-70-9

    References

    • Mure, Minae; Klinman, Judith P. Journal of the American Chemical Society, 1995 , vol. 117, # 34 p. 8698 - 8706
  • Route2
    • null|null
      18123-52-9
    • ~68%
    • In-stock
      2-(tert-Butyl)-5-hydroxycyclohexa-2,5-diene-1,4-dione|CS-0438496
      4857-70-9

    References

    • Mure, Minae; Klinman, Judith P. Journal of the American Chemical Society, 1995 , vol. 117, # 34 p. 8698 - 8706
  • Route3
    • null|null
      108-46-3
    • ~%
    • In-stock
      2-(tert-Butyl)-5-hydroxycyclohexa-2,5-diene-1,4-dione|CS-0438496
      4857-70-9

    References

    • Mure, Minae; Klinman, Judith P. Journal of the American Chemical Society, 1995 , vol. 117, # 34 p. 8698 - 8706

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.5526
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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