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CS-W001157 4
Total: USD 88.00

5-Methyltetrahydro-2H-pyran-2-one

  • CAS No. 3123-98-6

  • Cat. No. CS-0505840
  • Molecule weight114.14
  • Purity≥98%
  • MDL No.None

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

5-Methyltetrahydro-2H-pyran-2-one|CS-0505840

Structure of 3123-98-6

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General Information

  • CAS No. 3123-98-6
  • Cat. No. CS-0505840
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₂
  • Molecular Weight 114.14
  • Synonym(s) gamma-Methyl-delta-valerolactone
  • SMILES O=C1CCC(C)CO1

Synthesis

  • Route1
    • null|null
      10444-28-7
    • ~85%
    • 5-Methyltetrahydro-2H-pyran-2-one|CS-0505840
      3123-98-6

    References

    • Takeda, Kazutaka; Toyota, Masahiro Tetrahedron Letters, 2011 , vol. 52, # 44 p. 5872 - 5875
  • Route2
    • 3-Methylcyclopentanone|CS-0015918
      1757-42-2
    • ~98%
    • 5-Methyltetrahydro-2H-pyran-2-one|CS-0505840
      3123-98-6

    References

    • Koch, Stacie S. Canan; Chamberlin, A. Richard Synthetic Communications, 1989 , vol. 19, # 5and6 p. 829 - 834
  • Route3
    • null|null
      167707-57-5
    • ~93%
    • 5-Methyltetrahydro-2H-pyran-2-one|CS-0505840
      3123-98-6

    References

    • Archibald, Sarah C.; Barden, David J.; Bazin, Jerome F.Y.; Fleming, Ian; Foster, Colin F.; Mandal, Ajay K.; Mandal, Amit K.; Parker, David; Takaki, Ken; Ware, Anne C.; Williams, Anne R.B.; Zwicky, Anna B. Organic and Biomolecular Chemistry, 2004 , vol. 2, # 7 p. 1051 - 1064

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   26.3
  • LogP   0.9595
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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