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CS-W001157 4
Total: USD 88.00

Heptyl hexanoate

  • CAS No. 6976-72-3

  • Cat. No. CS-0160305
  • Purity≥97%
  • MDL No.MFCD00048909

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

Heptyl hexanoate|CS-0160305

Structure of 6976-72-3

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General Information

  • CAS No. 6976-72-3
  • Cat. No. CS-0160305
  • Purity ≥97%
  • MDL No. MFCD00048909
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₆O₂
  • Molecular Weight 214.34
  • Synonym(s) N-HEPTYL CAPROATE
  • SMILES CCCCCC(OCCCCCCC)=O

Synthesis

  • Route1

    References

    • Fan, Wenlai; Qian, Michael C. Journal of Agricultural and Food Chemistry, 2006 , vol. 54, # 7 p. 2695 - 2704
  • Route2

    References

    • Gartenmeister Justus Liebigs Annalen der Chemie, 1886 , vol. 233, p. 256

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-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   26.3
  • LogP   4.0803
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   10

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