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3-Methyl-1-phenylbut-2-en-1-one

  • CAS No. 5650-07-7

  • Cat. No. CS-0179407
  • Purity≥98%
  • MDL No.None

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

3-Methyl-1-phenylbut-2-en-1-one|CS-0179407

Structure of 5650-07-7

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General Information

  • CAS No. 5650-07-7
  • Cat. No. CS-0179407
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O
  • Molecular Weight 160.21
  • Synonym(s) 2-Buten-1-one, 3-methyl-1-phenyl-
  • SMILES C/C(C)=C\C(C1=CC=CC=C1)=O

Synthesis

  • Route1

    References

    • Wang, Dawei; Zhang, Yanwei; Harris, Alexandria; Gautam, Lekh Nath S.; Chen, Yunfeng; Shi, Xiaodong Advanced Synthesis and Catalysis, 2011 , vol. 353, # 14-15 p. 2584 - 2588
  • Route2

    References

    • Chatterjee, Paresh Nath; Roy, Sujit Tetrahedron, 2011 , vol. 67, # 25 p. 4569 - 4577
  • Route3
    • null|null
      95465-44-4
    • ~78%
    • 3-Methyl-1-phenylbut-2-en-1-one|CS-0179407
      5650-07-7

    References

    • Mugishima, Takao; Tsuda, Masashi; Kasai, Yuu; Ishiyama, Haruaki; Fukushi, Eri; Kawabata, Jun; Watanabe, Masayuki; Akao, Kenichi; Kobayashi, Jun'ichi Journal of Organic Chemistry, 2005 , vol. 70, # 23 p. 9430 - 9435

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.8355
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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