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2,4,6-Tri-tert-butylbenzoic acid

  • CAS No. 66415-27-8

  • Cat. No. CS-0567099
  • Molecule weight290.44
  • Purity≥98%
  • MDL No.None

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

2,4,6-Tri-tert-butylbenzoic acid|CS-0567099

Structure of 66415-27-8

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General Information

  • CAS No. 66415-27-8
  • Cat. No. CS-0567099
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₃₀O₂
  • Molecular Weight 290.44
  • Synonym(s) 2,4,6-Tris(1,1-dimethylethyl)benzoic acid
  • SMILES O=C(O)C1=C(C(C)(C)C)C=C(C(C)(C)C)C=C1C(C)(C)C

Synthesis

  • Route1

    References

    • Betts; Barclay Canadian Journal of Chemistry, 1955 , vol. 33, p. 1768,1769
  • Route2

    References

    • Schlecker,R. et al. Helvetica Chimica Acta, 1978 , vol. 61, p. 512 - 526
  • Route3
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    • 2,4,6-Tri-tert-butylbenzoic acid|CS-0567099
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      1155266-34-4

    References

    • Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N. European Journal of Inorganic Chemistry, 2008 , # 15 p. 2386 - 2390

Safety Information

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GHS Pictogram : N/A
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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   37.3
  • LogP   5.2773
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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