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CS-W001157 4
Total: USD 88.00

2-Propylhexanoic acid

  • CAS No. 3274-28-0

  • Cat. No. CS-0451064
  • Purity≥98%
  • MDL No.None

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

2-Propylhexanoic acid|CS-0451064

Structure of 3274-28-0

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General Information

  • CAS No. 3274-28-0
  • Cat. No. CS-0451064
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₈O₂
  • Molecular Weight 158.24
  • Synonym(s) Valeric Acid Impurity 1 (2-Propyl Hexanoic Acid)
  • SMILES CCCCC(CCC)C(=O)O

Synthesis

  • Route1
    • null|null
      111-65-9
    • null|null
      201230-82-2
    • ~8%
    • 2-Methyloctanoic acid|CS-0180940
      3004-93-1
    • 2-Propylhexanoic acid|CS-0451064
      3274-28-0
    • 2-Ethylheptanoic acid|CS-0232103
      3274-29-1

    References

    • Dalton Transactions, , vol. 42, # 47 p. 16578 - 16587
  • Route2
    • null|null
      111-66-0
    • null|null
      201230-82-2
    • ~%
    • 2-Methyloctanoic acid|CS-0180940
      3004-93-1
    • 2-Propylhexanoic acid|CS-0451064
      3274-28-0
    • 2-Ethylheptanoic acid|CS-0232103
      3274-29-1

    References

    • Angewandte Chemie, , vol. 75, p. 1098 - 1101
  • Route3
    • null|null
      106-94-5
    • null|null
      142-62-1
    • ~%
    • 2-Propylhexanoic acid|CS-0451064
      3274-28-0

    References

    • Journal of Organic Chemistry, , vol. 37, p. 451 - 458

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.6775
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   6

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