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CS-W001157 4
Total: USD 88.00

Pentyl hexanoate

  • CAS No. 540-07-8

  • Cat. No. CS-0362574
  • Purity≥98%
  • MDL No.None

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

Pentyl hexanoate|CS-0362574

Structure of 540-07-8

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General Information

  • CAS No. 540-07-8
  • Cat. No. CS-0362574
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₂O₂
  • Molecular Weight 186.29
  • Synonym(s) n-Caproic acid n-amyl ester
  • SMILES CCCCCC(=O)OCCCCC

Synthesis

  • Route1

    References

    • NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY; Ishihara, Kazuaki; Uyanik, Muhammet Patent: US2013/217898 A1, 2013 ; Location in patent: Paragraph 0070; 0076; 0098; 0100 ;
  • Route2
    • In-stock
      6-Undecanone|CS-0204308
      927-49-1
    • ~60%
    • In-stock
      Pentyl hexanoate|CS-0362574
      540-07-8
    • null|null
      142-62-1

    References

    • Angewandte Chemie - International Edition, , vol. 51, # 36 p. 9093 - 9096 Angew. Chem., , vol. 124, # 36 p. 9227 - 9230,4
  • Route3
    • null|null
      71-41-0
    • null|null
      142-62-1
    • ~%
    • In-stock
      Pentyl hexanoate|CS-0362574
      540-07-8

    References

    • Journal of the American Chemical Society, , vol. 65, p. 1606

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319
Precautionary Statements : P210-P264-P280-P302+P352-P362+P364-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.3001
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   8

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