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CS-W001157 4
Total: USD 88.00

1-(3,5-Di-tert-butylphenyl)ethan-1-one

  • CAS No. 1756-31-6

  • Cat. No. CS-0318413
  • Molecule weight232.36
  • Purity≥98%
  • MDL No.None

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

1-(3,5-Di-tert-butylphenyl)ethan-1-one|CS-0318413

Structure of 1756-31-6

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General Information

  • CAS No. 1756-31-6
  • Cat. No. CS-0318413
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₄O
  • Molecular Weight 232.36
  • Synonym(s) 1-(3,5-Di-tert-butylphenyl)ethanone
  • SMILES CC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

Synthesis

  • Route1
    • null|null
      917-54-4
    • In-stock
      3,5-Di-tert-butylbenzoic acid|CS-W010335
      16225-26-6
    • ~85%
    • In-stock
      1-(3,5-Di-tert-butylphenyl)ethan-1-one|CS-0318413
      1756-31-6

    References

    • Itoh, Yukihiro; Kitaguchi, Risa; Ishikawa, Minoru; Naito, Mikihiko; Hashimoto, Yuichi Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 22 p. 6768 - 6778
  • Route2
    • In-stock
      1-Bromo-3,5-di-tert-butylbenzene|CS-W012400
      22385-77-9
    • null|null
      97674-02-7
    • ~%
    • In-stock
      1-(3,5-Di-tert-butylphenyl)ethan-1-one|CS-0318413
      1756-31-6

    References

    • MERCK and CO., INC. Patent: WO2007/64553 A2, 2007 ; Location in patent: Page/Page column 57-58 ; WO 2007/064553 A2
  • Route3
    • null|null
      408311-46-6
    • ~%
    • In-stock
      1-(3,5-Di-tert-butylphenyl)ethan-1-one|CS-0318413
      1756-31-6

    References

    • Burgstahler,A.W. et al. Journal of the American Chemical Society, 1964 , vol. 86, p. 5281 - 5290

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   4.4842
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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