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CS-W001157 4
Total: USD 88.00

Isopentyl isobutyrate

  • CAS No. 2050-01-3

  • Cat. No. CS-0128834
  • Purity≥98%
  • MDL No.MFCD00053719

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

Isopentyl isobutyrate|CS-0128834

Structure of 2050-01-3

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General Information

  • CAS No. 2050-01-3
  • Cat. No. CS-0128834
  • Purity ≥98%
  • MDL No. MFCD00053719
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₈O₂
  • Molecular Weight 158.24
  • Synonym(s) Isobutyric Acid Isoamyl Ester
  • SMILES CC(C)C(OCCC(C)C)=O

Synthesis

  • Route1
    • null|null
      123-51-3
    • null|null
      78-83-1
    • ~%
    • Isopentyl isobutyrate|CS-0128834
      2050-01-3

    References

    • Zhurnal Obshchei Khimii, , vol. 8, p. 1096 Chem. Zentralbl., , vol. 110, # I p. 2401
  • Route2
    • null|null
      110-45-2
    • null|null
      79-31-2
    • ~%
    • Isopentyl isobutyrate|CS-0128834
      2050-01-3

    References

    • Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 154, p. 176

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 2620
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2317
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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