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CS-W001157 4
Total: USD 88.00

4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde

  • CAS No. 117569-57-0

  • Cat. No. CS-0313737
  • Molecule weight188.22
  • Purity95+%
  • MDL No.None

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

4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde|CS-0313737

Structure of 117569-57-0

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General Information

  • CAS No. 117569-57-0
  • Cat. No. CS-0313737
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₂
  • Molecular Weight 188.22
  • Synonym(s) 4-(3-hydroxy-3-methylbut-1-ynyl)benzaldehyde
  • SMILES CC(C)(C#CC1=CC=C(C=C1)C=O)O

Synthesis

  • Route1

    References

    • Yamada, Koji; Imahori, Hiroshi; Nishimura, Yoshinobu; Yamazaki, Iwao; Sakata, Yoshiteru Chemistry Letters, 1999 , # 9 p. 895 - 896
  • Route2

    References

    • Savicheva, Elizaveta A.; Kurandina, Daria V.; Nikiforov, Vladimir A.; Boyarskiy, Vadim P. Tetrahedron Letters, 2014 , vol. 55, # 13 p. 2101 - 2103

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 : H317-H319-H412
Precautionary Statements : P261-P264-P272-P273-P280-P302+P352-P362+P364-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.6215
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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