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CS-W001157 4
Total: USD 88.00

1-(4-Hydroxy-3-methoxyphenyl)butan-1-one

  • CAS No. 64142-23-0

  • Cat. No. CS-0163418
  • Molecule weight194.23
  • Purity≥97%
  • MDL No.None

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

1-(4-Hydroxy-3-methoxyphenyl)butan-1-one|CS-0163418

Structure of 64142-23-0

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General Information

  • CAS No. 64142-23-0
  • Cat. No. CS-0163418
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₃
  • Molecular Weight 194.23
  • Synonym(s) butyrovanillone
  • SMILES CCCC(C1=CC=C(O)C(OC)=C1)=O

Synthesis

  • Route1
    • Guaiacol Guaifenesin Impurity|CS-0229801
      90-05-1
    • ~%
    • 1-(4-Hydroxy-3-methoxyphenyl)butan-1-one|CS-0163418
      64142-23-0

    References

    • Hoffmann-La Roche Inc. Patent: US5236952 A1, 1993 ;
  • Route2
    • Guaiacol Guaifenesin Impurity|CS-0229801
      90-05-1
    • null|null
      141-75-3
    • ~%
    • 1-(4-Hydroxy-3-methoxyphenyl)butan-1-one|CS-0163418
      64142-23-0

    References

    • Janser, Ingo; Vortolomei, Caitlyn M.; Meka, Ranjith K.; Walsh, Courtney A.; Janser, Romy F.J. Comptes Rendus Chimie, 2013 , vol. 16, # 7 p. 660 - 664
  • Route3
    • null|null
      114515-48-9
    • ~%
    • 1-(4-Hydroxy-3-methoxyphenyl)butan-1-one|CS-0163418
      64142-23-0

    References

    • Suri, O. P.; Bindra, R. S.; Satti, N. K.; Khajuria, R. K. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987 , vol. 26, # 1-12 p. 587 - 588

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   46.53
  • LogP   2.3836
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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