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CS-W001157 4
Total: USD 88.00

3-Methylhexyl acetate

  • CAS No. 50373-54-1

  • Cat. No. CS-0453131
  • Purity≥98%
  • MDL No.None

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

3-Methylhexyl acetate|CS-0453131

Structure of 50373-54-1

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General Information

  • CAS No. 50373-54-1
  • Cat. No. CS-0453131
  • 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) Acetic Acid 3-Methylhexyl Ester
  • SMILES CCCC(C)CCOC(=O)C

Synthesis

  • Route1
    • null|null
      111768-08-2
    • null|null
      75-36-5
    • ~%
    • 3-Methylhexyl acetate|CS-0453131
      50373-54-1

    References

    • Dewael; Weckering Bulletin des Societes Chimiques Belges, 1924 , vol. 33, p. 497 Chem. Zentralbl., 1925 , vol. 96, # I p. 358

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.3758
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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