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CS-W001157 4
Total: USD 88.00

Methyl 2-ethylbenzoate

  • CAS No. 50604-01-8

  • Cat. No. CS-0438498
  • Purity≥98%
  • MDL No.MFCD06203917

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

Methyl 2-ethylbenzoate|CS-0438498

Structure of 50604-01-8

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General Information

  • CAS No. 50604-01-8
  • Cat. No. CS-0438498
  • Purity ≥98%
  • MDL No. MFCD06203917
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) Benzoic acid, ethyl-, methyl ester
  • SMILES O=C(OC)C1=CC=CC=C1CC

Synthesis

  • Route1

    References

    • Merck and Co., Inc. Patent: US4064139 A1, 1977 ;
  • Route2
    • null|null
      75-03-6
    • null|null
      693232-15-4
    • ~63%
    • In-stock
      Methyl 2-ethylbenzoate|CS-0438498
      50604-01-8

    References

    • Takahashi, Hideki; Inagaki, Shinya; Nishihara, Yasushi; Shibata, Takanori; Takagi, Kentaro Organic Letters, 2006 , vol. 8, # 14 p. 3037 - 3040
  • Route3
    • null|null
      67-56-1
    • In-stock
      2-Ethylbenzoic acid|CS-W004346
      612-19-1
    • ~94%
    • In-stock
      Methyl 2-ethylbenzoate|CS-0438498
      50604-01-8

    References

    • WYETH; SIENA BIOTECH S.P.A.; HAYDAR, Simon, N.; BOTHMANN, Hendrick; GHIRON, Chiara; MACCARI, Laura; MICCO, Iolanda; NENCINI, Arianna; ZANALETTI, Riccardo Patent: WO2010/9290 A1, 2010 ; Location in patent: Page/Page column 63-64 ;

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-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.0356
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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