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CS-W001157 4
Total: USD 88.00

Hept-6-en-1-yl acetate

  • CAS No. 5048-30-6

  • Cat. No. CS-0453043
  • Purity≥98%
  • MDL No.None

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

Hept-6-en-1-yl acetate|CS-0453043

Structure of 5048-30-6

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General Information

  • CAS No. 5048-30-6
  • Cat. No. CS-0453043
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₂
  • Molecular Weight 156.22
  • Synonym(s) Acetic Acid 6-Heptenyl Ester
  • SMILES C=CCCCCCOC(=O)C

Synthesis

  • Route1
    • 4-Iodobutyl acetate|CS-0317870
      40596-44-9
    • null|null
      145732-26-9
    • ~40%
    • Hept-6-en-1-yl acetate|CS-0453043
      5048-30-6

    References

    • Curran; Yoo Tetrahedron Letters, 1992 , vol. 33, # 46 p. 6931 - 6934
  • Route2
    • null|null
      100250-37-1
    • ~%
    • Hept-6-en-1-yl acetate|CS-0453043
      5048-30-6

    References

    • Crisan Annales de Chimie (Cachan, France), 1956 , vol. <13>1, p. 436,459
  • Route3

    References

    • Crisan Annales de Chimie (Cachan, France), 1956 , vol. <13>1, p. 436,459

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H302
Precautionary Statements : P210-P264-P270-P280-P330-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2959
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   6

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