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CS-W001157 4
Total: USD 88.00

3-Methylcyclopentanone

  • CAS No. 1757-42-2

  • Cat. No. CS-0015918
  • Purity≥98%
  • MDL No.None

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

3-Methylcyclopentanone|CS-0015918

Structure of 1757-42-2

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General Information

  • CAS No. 1757-42-2
  • Cat. No. CS-0015918
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O
  • Molecular Weight 98.14
  • Synonym(s) (±)-3-Methylcyclopentanone; 1-Methyl-3-cyclopentanone; 3-Methyl-1-cyclopentanone; (3S)-3-methylcyclopentanone
  • SMILES O=C1CC(C)CC1

Description

3-Methylcyclopentanone is a monocyclic ketone and its optical rotatory dispersion has been studied under isolated and solvated conditions to explore the role of ring size/morphology. The vibrationally resolved electronic circular dichroism (ECD) spectra of (R)-(+)-3-methylcyclopentanone in gas phase was evaluated by density functional theory.

Synthesis

  • Route1
    • 3-Methyl-2-cyclopenten-1-one, 97%|CS-1269159
      2758-18-1
    • ~92%
    • 3-Methylcyclopentanone|CS-0015918
      1757-42-2

    References

    • Petrier, Christian; Luche, Jean-Louis Tetrahedron Letters, 1987 , vol. 28, # 21 p. 2347 - 2350
  • Route2
    • null|null
      592-42-7
    • ~96%
    • 3-Methylcyclopentanone|CS-0015918
      1757-42-2

    References

    • Ettedgui, Jessica; Neumann, Ronny Journal of the American Chemical Society, 2009 , vol. 131, p. 4 - 5
  • Route3

    References

    • Lipshutz, Bruce H.; Wilhelm, Robert S.; Kozlowski, Joseph A. Journal of Organic Chemistry, 1984 , vol. 49, # 21 p. 3938 - 3942

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Warning
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.3755
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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