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CS-W001157 4
Total: USD 88.00

1-[4-(tert-butoxy)phenyl]ethan-1-one

  • CAS No. 4074-63-9

  • Cat. No. CS-0233974
  • Purity≥95%
  • MDL No.None

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

1-[4-(tert-butoxy)phenyl]ethan-1-one|CS-0233974

Structure of 4074-63-9

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General Information

  • CAS No. 4074-63-9
  • Cat. No. CS-0233974
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂
  • Molecular Weight 192.25
  • Synonym(s) 1-[4-(1,1-DIMETHYLETHOXY)PHENYL]-ETHANONE
  • SMILES CC(C1=CC=C(OC(C)(C)C)C=C1)=O

Synthesis

  • Route1
    • null|null
      115-11-7
    • 4-Hydroxyacetophenone Paracetamol Impurity|CS-0229792
      99-93-4
    • ~80%
    • 1-[4-(tert-butoxy)phenyl]ethan-1-one|CS-0233974
      4074-63-9

    References

    • BASF AKTIENGESELLSCHAFT Patent: WO2006/136538 A1, 2006 ; Location in patent: Page/Page column 25-26 ;
  • Route2

    References

    • Salmoria, Gean V.; Dall'Oglio, Evandro; Zucco, Cesar Tetrahedron Letters, 1998 , vol. 39, # 17 p. 2471 - 2474
  • Route3

    References

    • Salmoria, Gean V.; Dall'Oglio, Evandro; Zucco, Cesar Tetrahedron Letters, 1998 , vol. 39, # 17 p. 2471 - 2474

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.0665
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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