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Ethyl 3-hydroxy-2,2,3-trimethylbutanoate

  • CAS No. 62817-86-1

  • Cat. No. CS-0273124
  • Molecule weight174.24
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-hydroxy-2,2,3-trimethylbutanoate|CS-0273124

Structure of 62817-86-1

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General Information

  • CAS No. 62817-86-1
  • Cat. No. CS-0273124
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₈O₃
  • Molecular Weight 174.24
  • Synonym(s) Butanoic acid, 3-hydroxy-2,2,3-trimethyl-, ethyl ester
  • SMILES CC(C)(O)C(C)(C)C(OCC)=O

Synthesis

  • Route1
    • null|null
      600-00-0
    • null|null
      67-64-1
    • ~72%
    • Ethyl 3-hydroxy-2,2,3-trimethylbutanoate|CS-0273124
      62817-86-1

    References

    • Hellier, Desmond G.; Phillips, Andrew M. Organic Magnetic Resonance, 1982 , vol. 18, # 3 p. 178 - 184
  • Route2
    • null|null
      600-00-0
    • null|null
      67-64-1
    • ~%
    • null|null
      10008-69-2
    • Ethyl 3-hydroxy-2,2,3-trimethylbutanoate|CS-0273124
      62817-86-1

    References

    • Schick, Hans; Ludwig, Ralf; Schwarz, Karl-Heinz; Kleiner, Katharina; Kunath, Annamarie Journal of Organic Chemistry, 1994 , vol. 59, p. 3161 - 3164
  • Route3
    • null|null
      67-64-1
    • ~%
    • Ethyl 3-hydroxy-2,2,3-trimethylbutanoate|CS-0273124
      62817-86-1

    References

    • Colonge; Dumont Bulletin de la Societe Chimique de France, 1947 , p. 43 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1945 , vol. 220, p. 501

Safety Information

Download SDS
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   46.53
  • LogP   1.3466
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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