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CS-W001157 4
Total: USD 88.00

3,5-Bis(octyloxy)benzoic acid

  • CAS No. 87963-85-7

  • Cat. No. CS-0457748
  • Purity≥98%
  • MDL No.None

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

3,5-Bis(octyloxy)benzoic acid|CS-0457748

Structure of 87963-85-7

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General Information

  • CAS No. 87963-85-7
  • Cat. No. CS-0457748
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₃₈O₄
  • Molecular Weight 378.55
  • Synonym(s) 3,5-dioctoxybenzoic acid
  • SMILES O=C(O)C1=CC(OCCCCCCCC)=CC(OCCCCCCCC)=C1

Synthesis

  • Route1
    • null|null
      87963-84-6
    • ~97%
    • 3,5-Bis(octyloxy)benzoic acid|CS-0457748
      87963-85-7

    References

    • Pickaert, Guillaume; Ziessel, Raymond Synthesis, 2004 , # 16 p. 2716 - 2726
  • Route2

    References

    • Sienkowska, Monika J.; Farrar, John M.; Zhang, Fan; Kusuma, Sharat; Heiney, Paul A.; Kaszynski, Piotr Journal of Materials Chemistry, 2007 , vol. 17, # 14 p. 1399 - 1411
  • Route3

    References

    • Pickaert, Guillaume; Ziessel, Raymond Synthesis, 2004 , # 16 p. 2716 - 2726

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   6.8634
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   17

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