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5,5-Dimethyloxolan-2-one

  • CAS No. 3123-97-5

  • Cat. No. CS-0061120
  • Purity≥97%
  • MDL No.MFCD08061147

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

5,5-Dimethyloxolan-2-one|CS-0061120

Structure of 3123-97-5

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General Information

  • CAS No. 3123-97-5
  • Cat. No. CS-0061120
  • Purity ≥97%
  • MDL No. MFCD08061147
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₂
  • Molecular Weight 114.14
  • Synonym(s) 5,5-Dimethyldihydrofuran-2-one
  • SMILES CC1(C)CCC(=O)O1

Synthesis

  • Route1

    References

    • Bristol-Myers Squibb Co. Patent: US5648385 A1, 1997 ;
  • Route2
    • 4-Methylpentane-1,4-diol|CS-0308278
      1462-10-8
    • ~85%
    • In-stock
      5,5-Dimethyloxolan-2-one|CS-0061120
      3123-97-5

    References

    • Martin, David Diez; Marcos, Isidro S.; Basabe, Pilar; Romero, Ricardo E.; Moro, Rosalina F.; Lumeras, Wenceslao; Rodriguez, Lucena; Urones, Julio G. Synthesis, 2001 , # 7 p. 1013 - 1022
  • Route3
    • null|null
      115-11-7
    • null|null
      74-88-4
    • ~%
    • In-stock
      5,5-Dimethyloxolan-2-one|CS-0061120
      3123-97-5

    References

    • US3952020 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H318
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.102
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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