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CS-W001157 4
Total: USD 88.00

Methyl 4-butylbenzoate

  • CAS No. 20651-69-8

  • Cat. No. CS-0361861
  • Purity≥97%
  • MDL No.None

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

Methyl 4-butylbenzoate|CS-0361861

Structure of 20651-69-8

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General Information

  • CAS No. 20651-69-8
  • Cat. No. CS-0361861
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂
  • Molecular Weight 192.25
  • Synonym(s) 4-Butyl-Benzoic Acid Methyl Ester
  • SMILES CCCCC1=CC=C(C=C1)C(=O)OC

Synthesis

  • Route1
    • null|null
      67-56-1
    • 4-n-Butylchlorobenzene|CS-0206350
      15499-27-1
    • null|null
      201230-82-2
    • ~82%
    • Methyl 4-butylbenzoate|CS-0361861
      20651-69-8

    References

    • Watson, Donald A.; Fan, Xuexiang; Buchwald, Stephen L. Journal of Organic Chemistry, 2008 , vol. 73, # 18 p. 7096 - 7101
  • Route2
    • null|null
      1184731-47-2
    • ~73%
    • Methyl 4-butylbenzoate|CS-0361861
      20651-69-8

    References

    • Das, Arindam; Chaudhuri, Rupsha; Liu, Rai-Shung Chemical Communications, 2009 , # 27 p. 4046 - 4048
  • Route3
    • null|null
      76322-80-0
    • ~40%
    • Methyl 4-butylbenzoate|CS-0361861
      20651-69-8
    • Methyl 4-(3-oxobutyl)benzoate|CS-0455411
      74248-99-0

    References

    • Bezborodov, V. S.; Trokhimets, D. A. Journal of Organic Chemistry USSR (English Translation), 1991 , vol. 27, # 9.2 p. 1730 - 1732 Zhurnal Organicheskoi Khimii, 1991 , vol. 27, # 9 p. 1958 - 1960

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.8158
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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