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CS-W001157 4
Total: USD 88.00

2-tert-Butyl-4,5-dimethylphenol

  • CAS No. 1445-23-4

  • Cat. No. CS-0098533
  • Purity≥98%
  • MDL No.MFCD01741446

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

2-tert-Butyl-4,5-dimethylphenol|CS-0098533

Structure of 1445-23-4

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General Information

  • CAS No. 1445-23-4
  • Cat. No. CS-0098533
  • Purity ≥98%
  • MDL No. MFCD01741446
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈O
  • Molecular Weight 178.27
  • Synonym(s) 3,4-Xylenol, 6-tert-butyl-
  • SMILES OC1=CC(C)=C(C)C=C1C(C)(C)C

Synthesis

  • Route1
    • null|null
      95-65-8
    • null|null
      115-11-7
    • ~99%
    • 2-tert-Butyl-4,5-dimethylphenol|CS-0098533
      1445-23-4

    References

    • Alexander; La; Cefalo; Hoveyda; Schrock Journal of the American Chemical Society, 1998 , vol. 120, # 16 p. 4041 - 4042
  • Route2
    • null|null
      95-65-8
    • null|null
      507-20-0
    • ~92%
    • 2-tert-Butyl-4,5-dimethylphenol|CS-0098533
      1445-23-4

    References

    • Martin, Robert; Demerseman, Pierre Synthesis, 1989 , # 1 p. 25 - 28
  • Route3
    • 4-tert-Butyl-o-xylene|CS-0153006
      7397-06-0
    • ~%
    • 2-tert-Butyl-4,5-dimethylphenol|CS-0098533
      1445-23-4

    References

    • Lee, Young Eun; Cao, Trung; Torruellas, Carilyn; Kozlowski, Marisa C. Journal of the American Chemical Society, 2014 , vol. 136, # 19 p. 6782 - 6785

Safety Information

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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

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   3.30654
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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