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CS-W001157 4
Total: USD 88.00

Methyl orsellinate

  • CAS No. 3187-58-4

  • Cat. No. CS-0023752
  • Purity≥98%
  • MDL No.MFCD00184668

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

Methyl orsellinate|CS-0023752

Structure of 3187-58-4

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General Information

  • CAS No. 3187-58-4
  • Cat. No. CS-0023752
  • Purity ≥98%
  • MDL No. MFCD00184668
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₄
  • Molecular Weight 182.17
  • Synonym(s) None
  • SMILES COC(C1=C(C=C(O)C=C1O)C)=O

Synthesis

  • Route1
    • In-stock
      Orsellinic acid|CS-0023315
      480-64-8
    • null|null
      74-88-4
    • ~92%
    • In-stock
      Methyl orsellinate|CS-0023752
      3187-58-4

    References

    • Nicolaou; Rodriguez, Rosa Maria; Mitchell, Helen J.; Suzuki, Hideo; Fylaktakidou, Konstantina C.; Baudoin, Olivier; Van Delft, Floris L. Chemistry - A European Journal, 2000 , vol. 6, # 17 p. 3095 - 3115
  • Route2

    References

    • Barrett, Anthony G. M.; Morris, Timothy M.; Barton, Derek H. R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980 , p. 2272 - 2277
  • Route3
    • Methyl 2,4-dimethoxy-6-methylbenzoate|CS-0668454
      6110-37-8
    • ~98%
    • In-stock
      Methyl orsellinate|CS-0023752
      3187-58-4

    References

    • Mondal, Mukulesh; Puranik, Vedavati G.; Argade, Narshinha P. Journal of Organic Chemistry, 2007 , vol. 72, # 6 p. 2068 - 2076

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   1.19282
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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