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CS-W001157 4
Total: USD 88.00

3,5-Di-tert-butylphenol

  • CAS No. 1138-52-9

  • Cat. No. CS-W021820
  • Purity≥98%
  • MDL No.MFCD00008829

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

3,5-Di-tert-butylphenol|CS-W021820

Structure of 1138-52-9

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General Information

  • CAS No. 1138-52-9
  • Cat. No. CS-W021820
  • Purity ≥98%
  • MDL No. MFCD00008829
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₂O
  • Molecular Weight 206.33
  • Synonym(s) None
  • SMILES OC1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1

Description

3,5-Di-tert-butylphenol features two bulky tert-butyl groups flanking a phenolic hydroxyl, creating a sterically shielded aromatic system. This configuration imparts exceptional thermal and oxidative stability, making it ideal for use in high-performance antioxidants and polymer stabilizers. The electron-donating nature of the substituents enhances reactivity in radical scavenging processes.

Application

3,5-Di-tert-butylphenol serves as a sterically hindered phenolic building block enabling robust protection strategies and facilitating selective functionalization in complex synthesis. Its ortho-tert-butyl groups confer exceptional bench stability and resistance to oxidation, while the phenolic OH group participates reliably in esterification, etherification, and metal-catalyzed coupling reactions. Functions as a key intermediate in the construction of hindered antioxidants and chiral ligands.

Synthesis

  • Route1
    • null|null
      5723-95-5
    • ~67%
    • In-stock
      3,5-Di-tert-butylphenol|CS-W021820
      1138-52-9

    References

    • Angewandte Chemie - International Edition, , vol. 42, # 20 p. 2258 - 2260
  • Route2
    • null|null
      155064-25-8
    • ~97%
    • In-stock
      3,5-Di-tert-butylphenol|CS-W021820
      1138-52-9

    References

    • Helvetica Chimica Acta, , vol. 89, # 9 p. 1986 - 2005
  • Route3
    • null|null
      408311-46-6
    • ~%
    • In-stock
      3,5-Di-tert-butylphenol|CS-W021820
      1138-52-9

    References

    • Journal of the American Chemical Society, , vol. 86, p. 5281 - 5290

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2430
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H318-H413
Precautionary Statements : P260-P264-P273-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   3.9872
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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