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CS-W001157 4
Total: USD 88.00

3-Ethyl-3-methylglutaric acid

  • CAS No. 5345-01-7

  • Cat. No. CS-0168199
  • Purity≥98%
  • MDL No.MFCD00020494

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

3-Ethyl-3-methylglutaric acid|CS-0168199

Structure of 5345-01-7

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General Information

  • CAS No. 5345-01-7
  • Cat. No. CS-0168199
  • Purity ≥98%
  • MDL No. MFCD00020494
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₄
  • Molecular Weight 174.19
  • Synonym(s) B-METHYL-B-ETHYLGLUTARIC ACID
  • SMILES O=C(O)CC(C)(CC)CC(O)=O

Synthesis

  • Route1
    • 4-Ethyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile|CS-0321307
      1135-62-2
    • ~96%
    • 3-Ethyl-3-methylglutaric acid|CS-0168199
      5345-01-7

    References

    • Holder, Richard W.; Daub, John P.; Baker, Wesley E.; Gilbert, Raymond H; Graf, Norman A. Journal of Organic Chemistry, 1982 , vol. 47, # 8 p. 1445 - 1451
  • Route2
    • null|null
      1197-86-0
    • ~%
    • 3-Ethyl-3-methylglutaric acid|CS-0168199
      5345-01-7

    References

    • Journal of the Chemical Society, , vol. 121, p. 1304
  • Route3
    • null|null
      15025-17-9
    • ~%
    • 3-Ethyl-3-methylglutaric acid|CS-0168199
      5345-01-7

    References

    • Journal of the Chemical Society, , p. 901

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.3521
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   5

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