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CS-W001157 4
Total: USD 88.00

1-Mesitylbutane-1,3-dione

  • CAS No. 6450-57-3

  • Cat. No. CS-W013192
  • Molecule weight204.27
  • Purity≥98%
  • MDL No.None

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

1-Mesitylbutane-1,3-dione|CS-W013192

Structure of 6450-57-3

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General Information

  • CAS No. 6450-57-3
  • Cat. No. CS-W013192
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₂
  • Molecular Weight 204.27
  • Synonym(s) 1-(2,4,6-Trimethylbenzene)-1,3-butanedione
  • SMILES CC(CC(C1=C(C)C=C(C)C=C1C)=O)=O

Synthesis

  • Route1

    References

    • Popic; Korneev; Nikolaev; Korobitsyna Synthesis, 1991 , # 3 p. 195 - 198
  • Route2
    • null|null
      108-24-7
    • null|null
      108-67-8
    • ~28%
    • 1-Mesitylbutane-1,3-dione|CS-W013192
      6450-57-3

    References

    • Keppler; Diez; Seifried Arzneimittel-Forschung/Drug Research, 1985 , vol. 35, # 12 p. 1832 - 1836
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 61, p. 2362,2363

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.77366
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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