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CS-W001157 4
Total: USD 88.00

Methyl anisate

  • CAS No. 121-98-2

  • Cat. No. CS-W016058
  • Purity≥98%
  • MDL No.MFCD00008437

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

Methyl anisate|CS-W016058

Structure of 121-98-2

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General Information

  • CAS No. 121-98-2
  • Cat. No. CS-W016058
  • Purity ≥98%
  • MDL No. MFCD00008437
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C(OC)C1=CC=C(OC)C=C1

Description

Methyl p-anisate is a volatile compound released from Mycobacterium tuberculosis and is detected in the breath of tuberculosis patients. It is a potential biomarker for mycobacteria.

Synthesis

  • Route1
    • null|null
      77-78-1
    • 4-Hydroxybenzoic acid  Cetirizine Impurity|CS-0167040
      99-96-7
    • ~99%
    • In-stock
      Methyl anisate|CS-W016058
      121-98-2

    References

    • Ogura, Tetsuhiro; Usuki, Toyonobu Tetrahedron, 2013 , vol. 69, # 13 p. 2807 - 2815
  • Route2
    • null|null
      75-91-2
    • 4-Methoxybenzaldehyde, ≥ 99% GC|CS-0676496
      123-11-5
    • ~94%
    • In-stock
      Methyl anisate|CS-W016058
      121-98-2

    References

    • Zhu, Yan; Yan, Hong; Lu, Linhua; Liu, Defu; Rong, Guangwei; Mao, Jincheng Journal of Organic Chemistry, 2013 , vol. 78, # 19 p. 9898 - 9905
  • Route3
    • null|null
      67-56-1
    • In-stock
      1-Methoxy-4-(phenylethynyl)benzene|CS-0331181
      7380-78-1
    • ~86%
    • null|null
      93-58-3
    • In-stock
      Methyl anisate|CS-W016058
      121-98-2

    References

    • Wang, Azhong; Jiang, Huanfeng Journal of the American Chemical Society, 2008 , vol. 130, # 15 p. 5030 - 5031

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   35.53
  • LogP   1.4818
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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