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CS-W001157 4
Total: USD 88.00

Isopropyl octanoate

  • CAS No. 5458-59-3

  • Cat. No. CS-0185738
  • Purity≥98%
  • MDL No.MFCD00059256

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

Isopropyl octanoate|CS-0185738

Structure of 5458-59-3

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General Information

  • CAS No. 5458-59-3
  • Cat. No. CS-0185738
  • Purity ≥98%
  • MDL No. MFCD00059256
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₂O₂
  • Molecular Weight 186.29
  • Synonym(s) Octanoicacidisopropylester
  • SMILES CCCCCCCC(=O)OC(C)C

Synthesis

  • Route1
    • null|null
      108-20-3
    • null|null
      111-64-8
    • ~74%
    • Isopropyl octanoate|CS-0185738
      5458-59-3

    References

    • Umeda, Rui; Nishimura, Takashi; Kaiba, Kenta; Tanaka, Toshimasa; Takahashi, Yuuki; Nishiyama, Yutaka Tetrahedron, 2011 , vol. 67, # 38 p. 7217 - 7221
  • Route2

    References

    • Kim, Sunggak; Kim, Youn Chul; Lee, Jae In Tetrahedron Letters, 1983 , vol. 24, # 32 p. 3365 - 3368
  • Route3

    References

    • Chemistry Letters, , p. 1141 - 1144

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   3.2985
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   7

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