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CS-W001157 4
Total: USD 88.00

Hexyl isonicotinate

  • CAS No. 71653-48-0

  • Cat. No. CS-0589749
  • Purity≥98%
  • MDL No.None

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

Hexyl isonicotinate|CS-0589749

Structure of 71653-48-0

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General Information

  • CAS No. 71653-48-0
  • Cat. No. CS-0589749
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO₂
  • Molecular Weight 207.27
  • Synonym(s) Isonicotinic acid, hexyl ester
  • SMILES CCCCCCOC(=O)C1=CC=NC=C1

Synthesis

  • Route1

    References

    • Teulon, David A. J.; Davidson, Melanie M.; Hedderley, Duncan I.; James, Dale E.; Fletcher, Callum D.; Larsen, Lesley; Green, Vanessa C.; Perry, Nigel B. Journal of Agricultural and Food Chemistry, 2007 , vol. 55, # 15 p. 6198 - 6205

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.8187
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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