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CS-W001157 4
Total: USD 88.00

Methyl 4-pentanoylbenzoate

  • CAS No. 30611-21-3

  • Cat. No. CS-0152394
  • Molecule weight220.26
  • Purity≥98%
  • MDL No.MFCD09031818

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

Methyl 4-pentanoylbenzoate|CS-0152394

Structure of 30611-21-3

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General Information

  • CAS No. 30611-21-3
  • Cat. No. CS-0152394
  • Purity ≥98%
  • MDL No. MFCD09031818
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₃
  • Molecular Weight 220.26
  • Synonym(s) 4-PENTANOYL-BENZOIC ACID METHYL ESTER
  • SMILES CCCCC(=O)C1=CC=C(C=C1)C(=O)OC

Synthesis

  • Route1
    • null|null
      638-29-9
    • ~%
    • Methyl 4-pentanoylbenzoate|CS-0152394
      30611-21-3

    References

    • Michaelis; Russel; Schindler Journal of medicinal chemistry, 1970 , vol. 13, # 3 p. 497 - 503
  • Route2
    • null|null
      462-06-6
    • ~%
    • Methyl 4-pentanoylbenzoate|CS-0152394
      30611-21-3

    References

    • Wagner, Peter J.; Siebert, Elizabeth J. Journal of the American Chemical Society, 1981 , vol. 103, # 24 p. 7329 - 7335
  • Route3
    • 4-Pentanoylbenzonitrile|CS-1635958
      30611-20-2
    • ~%
    • Methyl 4-pentanoylbenzoate|CS-0152394
      30611-21-3

    References

    • Wagner, Peter J.; Siebert, Elizabeth J. Journal of the American Chemical Society, 1981 , vol. 103, # 24 p. 7329 - 7335

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-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.8461
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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