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CS-W001157 4
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1-Phenyl-3-(p-tolyl)propane-1,3-dione

  • CAS No. 25855-99-6

  • Cat. No. CS-0450265
  • Molecule weight238.28
  • Purity≥98%
  • MDL No.None

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

1-Phenyl-3-(p-tolyl)propane-1,3-dione|CS-0450265

Structure of 25855-99-6

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General Information

  • CAS No. 25855-99-6
  • Cat. No. CS-0450265
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₄O₂
  • Molecular Weight 238.28
  • Synonym(s) 1-(4-Methylphenyl)-3-phenylpropane-1,3-dione
  • SMILES CC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2

Synthesis

  • Route1

    References

    • DEXERA; Honnart, Stephane; Galy-Jammou, Philippe Patent: US2014/88325 A1, 2014 ; Location in patent: Paragraph 0159; 0160; 0161; 0162; 0163 ;
  • Route2
    • null|null
      27729-96-0
    • ~66%
    • 1-Phenyl-3-(p-tolyl)propane-1,3-dione|CS-0450265
      25855-99-6

    References

    • Hasegawa, Eietsu; Ishiyama, Kenyuki; Horaguchi, Takaaki; Shimizu, Takahachi Journal of Organic Chemistry, 1991 , vol. 56, # 4 p. 1631 - 1635
  • Route3
    • 4-Methylbenzoyl cyanide|CS-0324363
      14271-73-9
    • null|null
      70-11-1
    • ~61%
    • 1-Phenyl-3-(p-tolyl)propane-1,3-dione|CS-0450265
      25855-99-6

    References

    • Baek, Heung Soo; Yoo, Byung Woo; Keum, Sam Rok; Yoon, Cheol Min; Kim, Sung Hoon; Kim, Joong Hyup Synthetic Communications, 2000 , vol. 30, # 1 p. 31 - 38

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

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   3.45072
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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