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CS-W001157 4
Total: USD 88.00

4,4-Dimethyltetrahydro-2H-pyran-2-one

  • CAS No. 22791-80-6

  • Cat. No. CS-0491153
  • Molecule weight128.17
  • Purity≥98%
  • MDL No.None

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

4,4-Dimethyltetrahydro-2H-pyran-2-one|CS-0491153

Structure of 22791-80-6

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General Information

  • CAS No. 22791-80-6
  • Cat. No. CS-0491153
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₂
  • Molecular Weight 128.17
  • Synonym(s) 2H-Pyran-2-one, tetrahydro-4,4-dimethyl-
  • SMILES O=C1CC(C)(C)CCO1

Synthesis

  • Route1

    References

    • Picha, Jan; Vanek, Vaclav; Budesinsky, Milos; Mladkova, Jana; Garrow, Timothy A.; Jiracek, Jiri European Journal of Medicinal Chemistry, 2013 , vol. 65, p. 256 - 275
  • Route2
    • null|null
      111-68-2
    • ~95%
    • 4,4-Dimethyltetrahydro-2H-pyran-2-one|CS-0491153
      22791-80-6
    • null|null
      139773-01-6

    References

    • Du Pont Merck Pharmaceutical Company Patent: US5166214 A1, 1992 ;
  • Route3
    • 3,3-Dimethylpentane-1,5-diol|CS-0666878
      53120-74-4
    • ~74%
    • 4,4-Dimethyltetrahydro-2H-pyran-2-one|CS-0491153
      22791-80-6

    References

    • Torii, Sigeru; Inokuchi, Tsutomu; Sugiura, Toyoyuki Journal of Organic Chemistry, 1986 , vol. 51, # 2 p. 155 - 161

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.3496
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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