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CS-W001157 4
Total: USD 88.00

4,4-Dimethoxyoxan-3-one

  • CAS No. 693245-80-6

  • Cat. No. CS-0051118
  • Molecule weight160.17
  • Purity98+%
  • MDL No.MFCD18814922

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

4,4-Dimethoxyoxan-3-one|CS-0051118

Structure of 693245-80-6

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General Information

  • CAS No. 693245-80-6
  • Cat. No. CS-0051118
  • Purity 98+%
  • MDL No. MFCD18814922
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₄
  • Molecular Weight 160.17
  • Synonym(s) dihydro-4,4-dimethoxy-2H-Pyran-3(4H)-one
  • SMILES COC1(CCOCC1=O)OC

Synthesis

  • Route1
    • 4,4-Dimethoxytetrahydro-2H-pyran-3-ol|CS-0051127
      104681-92-7
    • ~94%
    • 4,4-Dimethoxyoxan-3-one|CS-0051118
      693245-80-6

    References

    • MERCK and CO., INC. Patent: WO2005/105092 A2, 2005 ; Location in patent: Page/Page column 26 ; WO 2005/105092 A2
  • Route2
    • null|null
      4732-69-8
    • ~66%
    • 4,4-Dimethoxyoxan-3-one|CS-0051118
      693245-80-6

    References

    • MERCK and CO., INC. Patent: WO2005/105092 A2, 2005 ; Location in patent: Page/Page column 27-28 ; WO 2005/105092 A2
  • Route3

    References

    • MERCK SHARP and DOHME CORP.; KUDUK, Scott, D.; CHANG, Ronald, K.; GRESHOCK, Thomas, J. Patent: WO2011/25851 A1, 2011 ; WO 2011/025851 A1

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.76
  • LogP   -0.0351
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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