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CS-W001157 4
Total: USD 88.00

Hexyl octanoate

  • CAS No. 1117-55-1

  • Cat. No. CS-0451191
  • Purity≥98%
  • MDL No.None

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

Hexyl octanoate|CS-0451191

Structure of 1117-55-1

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General Information

  • CAS No. 1117-55-1
  • Cat. No. CS-0451191
  • 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 C₁₄H₂₈O₂
  • Molecular Weight 228.37
  • Synonym(s) octanoicacidhexylester
  • SMILES CCCCCCCC(=O)OCCCCCC

Synthesis

  • Route1

    References

    • Won, Ju-Eun; Kim, Ho-Kyun; Kim, Jeum-Jong; Yim, Heong-Seup; Kim, Min-Jung; Kang, Seung-Beom; Chung, Hyun-A.; Lee, Sang-Gyeong; Yoon, Yong-Jin Tetrahedron, 2007 , vol. 63, # 51 p. 12720 - 12730
  • Route2

    References

    • Journal of Molecular Catalysis B: Enzymatic, , vol. 66, # 1-2 p. 120 - 123
  • Route3
    • In-stock
      Ethyl octanoate|CS-W016021
      106-32-1
    • null|null
      62774-20-3
    • ~%
    • In-stock
      Hexyl octanoate|CS-0451191
      1117-55-1

    References

    • Journal of Organometallic Chemistry, , vol. 361, p. C8 - C10

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   4.4704
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   11

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