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1-(Benzyloxy)-3-methylbutan-2-one

  • CAS No. 113778-75-9

  • Cat. No. CS-0235180
  • Molecule weight192.25
  • Purity95+%
  • MDL No.None

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

1-(Benzyloxy)-3-methylbutan-2-one|CS-0235180

Structure of 113778-75-9

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General Information

  • CAS No. 113778-75-9
  • Cat. No. CS-0235180
  • 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) 3-methyl-1-phenylmethoxybutan-2-one
  • SMILES CC(C)C(=O)COCC1=CC=CC=C1

Synthesis

  • Route1

    References

    • Evans,D.A.; Chapman,K.T.; Carreira,E.M. Journal of the American Chemical Society, 1988 , vol. 110, p. 3560
  • Route2

    References

    • Evans,D.A.; Chapman,K.T.; Carreira,E.M. Journal of the American Chemical Society, 1988 , vol. 110, p. 3560
  • Route3
    • null|null
      60656-87-3
    • ~%
    • 1-(Benzyloxy)-3-methylbutan-2-one|CS-0235180
      113778-75-9

    References

    • Aikawa, Kohsuke; Okamoto, Tatsuya; Mikami, Koichi Journal of the American Chemical Society, 2012 , vol. 134, # 25 p. 10329 - 10332

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   26.3
  • LogP   2.4283
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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