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CS-W001157 4
Total: USD 88.00

1,3-Bis(4-methylphenyl)propane-1,3-dione

  • CAS No. 3594-36-3

  • Cat. No. CS-0233540
  • Molecule weight252.31
  • Purity≥98%
  • MDL No.None

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

1,3-Bis(4-methylphenyl)propane-1,3-dione|CS-0233540

Structure of 3594-36-3

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General Information

  • CAS No. 3594-36-3
  • Cat. No. CS-0233540
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₆O₂
  • Molecular Weight 252.31
  • Synonym(s) 1,3-Propanedione, 1,3-bis(4-methylphenyl)-
  • SMILES CC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C)C=C2

Synthesis

  • Route1

    References

    • Zou, Liang-Hua; Priebbenow, Daniel L.; Wang, Long; Mottweiler, Jakob; Bolm, Carsten Advanced Synthesis and Catalysis, 2013 , vol. 355, # 13 p. 2558 - 2563
  • Route2
    • null|null
      874-60-2
    • null|null
      123-54-6
    • ~72%
    • 1,3-Bis(4-methylphenyl)propane-1,3-dione|CS-0233540
      3594-36-3

    References

    • Hao, Wenying; Zhang, Yongmin; Ying, Taokai; Lu, Pin Synthetic Communications, 1996 , vol. 26, # 12 p. 2421 - 2427
  • Route3

    References

    • Ohta, Kazuchika; Muroki, Hiromitsu; Takagi, Akira; Yamamoto, Iwao; Matszaki, Kei Molecular Crystals and Liquid Crystals (1969-1991), 1986 , vol. 135, p. 247 - 264

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   3.75914
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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