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CS-W001157 4
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2-(5,5-Dimethyl-2-oxooxolan-3-yl)acetic acid

  • CAS No. 412298-86-3

  • Cat. No. CS-0253385
  • Molecule weight172.18
  • Purity95+%
  • MDL No.None

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

2-(5,5-Dimethyl-2-oxooxolan-3-yl)acetic acid|CS-0253385

Structure of 412298-86-3

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General Information

  • CAS No. 412298-86-3
  • Cat. No. CS-0253385
  • Purity 95+%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄
  • Molecular Weight 172.18
  • Synonym(s) (5,5-Dimethyl-2-oxo-tetrahydro-furan-3-yl)-acetic acid
  • SMILES CC1(C)CC(CC(=O)O)C(=O)O1

Synthesis

  • Route1
    • null|null
      479546-49-1
    • ~90%
    • 2-(5,5-Dimethyl-2-oxooxolan-3-yl)acetic acid|CS-0253385
      412298-86-3

    References

    • Kochikyan; Arutyunyan; Avetisyan Russian Journal of Organic Chemistry, 2002 , vol. 38, # 3 p. 390 - 393
  • Route2
    • null|null
      14668-39-4
    • ~%
    • 2-(5,5-Dimethyl-2-oxooxolan-3-yl)acetic acid|CS-0253385
      412298-86-3

    References

    • Kochikyan; Arutyunyan; Avetisyan Russian Journal of Organic Chemistry, 2002 , vol. 38, # 3 p. 390 - 393
  • Route3
    • null|null
      7647-01-0
    • 3-(2-Methylallyl)dihydrofuran-2,5-dione|CS-0320759
      18908-20-8
    • ~%
    • 2-(5,5-Dimethyl-2-oxooxolan-3-yl)acetic acid|CS-0253385
      412298-86-3

    References

    • Phillips; Johnson Journal of the American Chemical Society, 1955 , vol. 77, p. 5977,5981

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

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.8028
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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