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CS-W001157 4
Total: USD 88.00

Butyl pentanoate

  • CAS No. 591-68-4

  • Cat. No. CS-W016199
  • Molecule weight158.24
  • Purity≥98%
  • MDL No.MFCD00015258

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

Butyl pentanoate|CS-W016199

Structure of 591-68-4

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General Information

  • CAS No. 591-68-4
  • Cat. No. CS-W016199
  • Purity ≥98%
  • MDL No. MFCD00015258
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₈O₂
  • Molecular Weight 158.24
  • Synonym(s) Valeric acid butyl ester
  • SMILES CCCCC(OCCCC)=O

Synthesis

  • Route1
    • null|null
      71-36-3
    • null|null
      109-52-4
    • ~74%
    • In-stock
      Butyl pentanoate|CS-W016199
      591-68-4

    References

    • Divakar, Soundar Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002 , vol. 41, # 9 p. 1919 - 1922
  • Route2
    • In-stock
      Levulinic acid|CS-0015813
      123-76-2
    • null|null
      71-36-3
    • ~88%
    • In-stock
      Butyl pentanoate|CS-W016199
      591-68-4

    References

    • Pan, Tao; Deng, Jin; Xu, Qing; Xu, Yang; Guo, Qing-Xiang; Fu, Yao Green Chemistry, 2013 , vol. 15, # 10 p. 2967 - 2974
  • Route3
    • 3-N-Butyl-2,4-pentanedione|CS-0206554
      1540-36-9
    • null|null
      71-36-3
    • ~75%
    • In-stock
      Butyl pentanoate|CS-W016199
      591-68-4

    References

    • Terentev, Alexander O.; Borisov, Dmitry A.; Yaremenko, Ivan A.; Ogibin, Yuri N.; Nikishin, Gennady I. Synthesis, 2010 , # 7 art. no. P14909SS, p. 1145 - 1149

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   2.5199
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   6

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