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CS-W001157 4
Total: USD 88.00

trans-Benzylideneacetone

  • CAS No. 1896-62-4

  • Cat. No. CS-0031350
  • Purity≥96%
  • MDL No.MFCD00008779

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

trans-Benzylideneacetone|CS-0031350

Structure of 1896-62-4

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General Information

  • CAS No. 1896-62-4
  • Cat. No. CS-0031350
  • Purity ≥96%
  • MDL No. MFCD00008779
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O
  • Molecular Weight 146.19
  • Synonym(s) trans-Benzalacetone
  • SMILES CC(/C=C/C1=CC=CC=C1)=O.[E]

Description

trans-4-Phenyl-3-buten-2-one forms trans-4-(4-hydroxyphenyl)-3-buten-2-one (4-OH-PBO) as a metabolite when incubated with liver microsomes of untreated rats in the presence of NADPH.

Synthesis

  • Route1
    • null|null
      36004-04-3
    • ~10%
    • In-stock
      trans-Benzylideneacetone|CS-0031350
      1896-62-4

    References

    • Wang, Xinliang; Liu, Renhua; Jin, Yu; Liang, Xinmiao Chemistry - A European Journal, 2008 , vol. 14, # 9 p. 2679 - 2685
  • Route2
    • In-stock
      Iodobenzene|CS-W008603
      591-50-4
    • null|null
      78-94-4
    • ~99%
    • In-stock
      trans-Benzylideneacetone|CS-0031350
      1896-62-4

    References

    • Heshmatpour, Felora; Abazari, Reza; Balalaie, Saeed Tetrahedron, 2012 , vol. 68, # 14 p. 3001 - 3011
  • Route3
    • null|null
      6310-44-7
    • ~92%
    • In-stock
      trans-Benzylideneacetone|CS-0031350
      1896-62-4

    References

    • Woo Yoo, Byung; Woo Choi, Jin; Hye Yang, Min Synthetic Communications, 2009 , vol. 39, # 8 p. 1488 - 1493

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H317-H319-H335
Precautionary Statements : P261-P264-P271-P272-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.9249
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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