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CS-W001157 4
Total: USD 88.00

methyl 2-(4-ethylphenyl)-2-methylpropanoate

  • CAS No. 698394-59-1

  • Cat. No. CS-0001451
  • Purity≥98%
  • MDL No.MFCD13184705

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

methyl 2-(4-ethylphenyl)-2-methylpropanoate|CS-0001451

Structure of 698394-59-1

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General Information

  • CAS No. 698394-59-1
  • Cat. No. CS-0001451
  • Purity ≥98%
  • MDL No. MFCD13184705
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₂
  • Molecular Weight 206.28
  • Synonym(s) Benzeneacetic acid, 4-ethyl-α,α-dimethyl-, methyl ester
  • SMILES O=C(OC)C(C)(C)C(C=C1)=CC=C1CC

Synthesis

  • Route1
    • null|null
      68400-51-1
    • null|null
      149-73-5
    • ~99%
    • methyl 2-(4-ethylphenyl)-2-methylpropanoate|CS-0001451
      698394-59-1

    References

    • ZENTIVA, a.s. Patent: WO2004/46080 A1, 2004 ; Location in patent: Page 7 ;
  • Route2
    • 2-bromo-1-(4-ethylphenyl)-2-methylpropan-1-one|CS-0001450
      698394-60-4
    • null|null
      149-73-5
    • ~90%
    • methyl 2-(4-ethylphenyl)-2-methylpropanoate|CS-0001451
      698394-59-1

    References

    • ZENTIVA, a.s. Patent: WO2004/46080 A1, 2004 ; Location in patent: Page column 6-7 ;

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   26.3
  • LogP   2.6996
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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