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1-(2,3,4,5,6-Pentamethylphenyl)ethan-1-one

  • CAS No. 2040-01-9

  • Cat. No. CS-0449364
  • Purity≥97%
  • MDL No.None

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

1-(2,3,4,5,6-Pentamethylphenyl)ethan-1-one|CS-0449364

Structure of 2040-01-9

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General Information

  • CAS No. 2040-01-9
  • Cat. No. CS-0449364
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O
  • Molecular Weight 190.28
  • Synonym(s) 1-(Pentamethylphenyl)ethan-1-one
  • SMILES CC1=C(C)C(=C(C(=C1C)C)C(=O)C)C

Synthesis

  • Route1

    References

    • Kiprof, Paul; Li, Jun; Renish, Catherine L.; Kalombo, Eddie K.; Young Jr., Victor G. Journal of Organometallic Chemistry, 2001 , vol. 620, # 1-2 p. 113 - 118
  • Route2

    References

    • Fuerstner, Alois; Voigtlaender, David; Schrader, Wolfgang; Giebel, Dirk; Reetz, Manfred T. Organic Letters, 2001 , vol. 3, # 3 p. 417 - 420

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.4313
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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