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CS-W001157 4
Total: USD 88.00

3-Methyl-3-phenylbutan-2-one

  • CAS No. 770-85-4

  • Cat. No. CS-0257824
  • Molecule weight162.23
  • Purity≥95%
  • MDL No.None

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

3-Methyl-3-phenylbutan-2-one|CS-0257824

Structure of 770-85-4

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General Information

  • CAS No. 770-85-4
  • Cat. No. CS-0257824
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O
  • Molecular Weight 162.23
  • Synonym(s) acetylisopropylbenzene
  • SMILES CC(C(C1=CC=CC=C1)(C)C)=O

Synthesis

  • Route1
    • null|null
      21578-99-4
    • ~87%
    • 3-Methyl-3-phenylbutan-2-one|CS-0257824
      770-85-4

    References

    • Gudla, Vanajakshi; Balamurugan, Rengarajan Tetrahedron Letters, 2012 , vol. 53, # 39 p. 5243 - 5247
  • Route2

    References

    • Moore, II, Bob M.; Gurley, Steven; Mustafa, Suni Patent: US2009/286824 A1, 2009 ; Location in patent: Page/Page column 6 ; US 20090286824 A1
  • Route3

    References

    • Fernandez-Monreal, Maria C.; Ruiz, Maria P.; San-Roman, Julio Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1988 , p. 1983 - 1988

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.5532
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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