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CS-W001157 4
Total: USD 88.00

3-(Tert-butyl)-5-methylphenol

  • CAS No. 4892-31-3

  • Cat. No. CS-0510871
  • Purity≥98%
  • MDL No.MFCD00020127

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

3-(Tert-butyl)-5-methylphenol|CS-0510871

Structure of 4892-31-3

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General Information

  • CAS No. 4892-31-3
  • Cat. No. CS-0510871
  • Purity ≥98%
  • MDL No. MFCD00020127
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆O
  • Molecular Weight 164.24
  • Synonym(s) 3-Tert-butyl-5-methylphenol
  • SMILES OC1=CC(C)=CC(C(C)(C)C)=C1

Synthesis

  • Route1
    • null|null
      108-39-4
    • ~%
    • 3-(Tert-butyl)-5-methylphenol|CS-0510871
      4892-31-3

    References

    • Conoco, Inc. Patent: US4236031 A1, 1980 ;
  • Route2
    • null|null
      106-44-5
    • null|null
      507-20-0
    • ~%
    • 3-(Tert-butyl)-5-methylphenol|CS-0510871
      4892-31-3

    References

    • Tchitchibabine; Barkovsky Annales de Chimie (Cachan, France), 1942 , vol. <11> 17, p. 349,351
  • Route3
    • null|null
      6399-08-2
    • ~%
    • 3-(Tert-butyl)-5-methylphenol|CS-0510871
      4892-31-3

    References

    • Dubinin; Koshewnikowa Zhurnal Obshchei Khimii, 1951 , vol. 21, p. 662,666; engl. Ausg. S. 731, 734

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS09
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H411
Precautionary Statements : P260-P280-P301+P330+P331

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.99812
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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