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CS-W001157 4
Total: USD 88.00

1-(4-Hydroxyphenyl)-2-phenylbutan-1-one

  • CAS No. 6966-21-8

  • Cat. No. CS-0331323
  • Purity≥98%
  • MDL No.None

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

1-(4-Hydroxyphenyl)-2-phenylbutan-1-one|CS-0331323

Structure of 6966-21-8

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General Information

  • CAS No. 6966-21-8
  • Cat. No. CS-0331323
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₆O₂
  • Molecular Weight 240.30
  • Synonym(s) NSC 18751
  • SMILES CCC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)O

Synthesis

  • Route1
    • null|null
      100-66-3
    • 2-Phenylbutanoic acid Indobufen  Impurity|CS-0229462
      90-27-7
    • ~77%
    • 1-(4-Hydroxyphenyl)-2-phenylbutan-1-one|CS-0331323
      6966-21-8

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2005/33056 A2, 2005 ; Location in patent: Page/Page column 32; 40-43 ; WO 2005/033056 A2
  • Route2
    • 1-(4-Methoxyphenyl)-2-phenylbutan-1-one|CS-0357862
      78423-10-6
    • ~%
    • 1-(4-Hydroxyphenyl)-2-phenylbutan-1-one|CS-0331323
      6966-21-8

    References

    • Imperial Chemical Industries, Ltd. Patent: BE637389 , 1964 ; Chem.Abstr., 1965 , vol. 62, # 10373
  • Route3
    • null|null
      70354-03-9
    • ~81%
    • 1-(4-Hydroxyphenyl)-2-phenylbutan-1-one|CS-0331323
      6966-21-8

    References

    • Rao, K. V. B.; Iyer, R. N. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 1 p. 54 - 58

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.7687
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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