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CS-W001157 4
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Octyl dihydrogen phosphate

  • CAS No. 3991-73-9

  • Cat. No. CS-0504816
  • Molecule weight210.21
  • Purity≥98%
  • MDL No.MFCD00235968

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

Octyl dihydrogen phosphate|CS-0504816

Structure of 3991-73-9

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General Information

  • CAS No. 3991-73-9
  • Cat. No. CS-0504816
  • Purity ≥98%
  • MDL No. MFCD00235968
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₉O₄P
  • Molecular Weight 210.21
  • Synonym(s) Phosphoric acid, monooctyl ester
  • SMILES O=P(O)(OCCCCCCCC)O

Synthesis

  • Route1
    • null|null
      362621-86-1
    • ~93%
    • Octyl dihydrogen phosphate|CS-0504816
      3991-73-9

    References

    • Chen, Kuan-Hung; Yang, Jye-Shane; Hwang, Chung-Yu; Fang, Jim-Min Organic Letters, 2008 , vol. 10, # 20 p. 4401 - 4404
  • Route2
    • null|null
      53121-41-8
    • ~99%
    • Octyl dihydrogen phosphate|CS-0504816
      3991-73-9

    References

    • Modro, Agnes M.; Modro, Tomasz A. Organic Preparations and Procedures International, 1992 , vol. 24, # 1 p. 57 - 60
  • Route3

    References

    • Wieland; Lambert Chemische Berichte, 1956 , vol. 89, p. 2476,2482

Safety Information

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Computational Chemistry Data

  • TPSA   66.76
  • LogP   2.4562
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   8

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