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CS-W001157 4
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5-Methyl-1,3-dioxan-2-one

  • CAS No. 87831-99-0

  • Cat. No. CS-0551983
  • Molecule weight116.12
  • Purity≥98%
  • MDL No.None

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

5-Methyl-1,3-dioxan-2-one|CS-0551983

Structure of 87831-99-0

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General Information

  • CAS No. 87831-99-0
  • Cat. No. CS-0551983
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₃
  • Molecular Weight 116.12
  • Synonym(s) Carbonic acid 2-methyl-1,3-propanediyl ester
  • SMILES CC1COC(=O)OC1

Synthesis

  • Route1
    • null|null
      2167-38-6
    • null|null
      124-38-9
    • ~91%
    • 5-Methyl-1,3-dioxan-2-one|CS-0551983
      87831-99-0

    References

    • Fujiwara, Masahiro; Baba, Akio; Matsuda, Haruo Journal of Heterocyclic Chemistry, 1989 , vol. 26, p. 1659 - 1663
  • Route2

    References

    • Al-Azemi, Talal F.; Dib, Hicham H.; Al-Awadi, Nouria A.; El-Dusouqui, Osman M.E. Tetrahedron, 2008 , vol. 64, # 18 p. 4126 - 4134
  • Route3

    References

    • Gabriele, Bartolo; Mancuso, Raffaella; Salerno, Giuseppe; Veltri, Lucia; Costa, Mirco; Dibenedetto, Angela ChemSusChem, 2011 , vol. 4, # 12 p. 1778 - 1786

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
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   35.53
  • LogP   0.7893
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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