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CS-W001157 4
Total: USD 88.00

3,4-Dimethylpentanoic acid

  • CAS No. 3302-06-5

  • Cat. No. CS-0217045
  • Molecule weight130.18
  • Purity≥98%
  • MDL No.None

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

3,4-Dimethylpentanoic acid|CS-0217045

Structure of 3302-06-5

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General Information

  • CAS No. 3302-06-5
  • Cat. No. CS-0217045
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄O₂
  • Molecular Weight 130.18
  • Synonym(s) 3,4-dimethylvalericacid
  • SMILES CC(C)C(C)CC(O)=O

Synthesis

  • Route1
    • Diethyl 2-(2-methylpropylidene)malonate|CS-0210779
      5652-68-6
    • ~%
    • 3,4-Dimethylpentanoic acid|CS-0217045
      3302-06-5

    References

    • Sheehan,J.C.; Ledis,S.L. Journal of the American Chemical Society, 1973 , vol. 95, p. 875 - 879
  • Route2
    • null|null
      563-78-0
    • ~%
    • 3,4-Dimethylpentanoic acid|CS-0217045
      3302-06-5

    References

    • Morton et al. Journal of the American Chemical Society, 1950 , vol. 72, p. 3785,3790
  • Route3

    References

    • Blicke; Zinnes Journal of the American Chemical Society, 1955 , vol. 77, p. 5399

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.7532
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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