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CS-W001157 4
Total: USD 88.00

Octyl nicotinate

  • CAS No. 70136-02-6

  • Cat. No. CS-0205028
  • Purity≥98%
  • MDL No.MFCD00059783

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

Octyl nicotinate|CS-0205028

Structure of 70136-02-6

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General Information

  • CAS No. 70136-02-6
  • Cat. No. CS-0205028
  • Purity ≥98%
  • MDL No. MFCD00059783
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₁NO₂
  • Molecular Weight 235.32
  • Synonym(s) Nicotinic Acid n-Octyl Ester
  • SMILES O=C(OCCCCCCCC)C=1C=NC=CC1

Synthesis

  • Route1

    References

    • Martin-Munoz, Maria Gema; Fierros, Maria; Rodriguez-Franco, Maria Isabel; Conde, Santiago Tetrahedron, 1994 , vol. 50, # 23 p. 6999 - 7008
  • Route2

    References

    • Barry, Jean; Bram, Georges; Petit, Alain Heterocycles, 1985 , vol. 23, # 4 p. 875 - 880
  • Route3

    References

    • Huber et al. Journal of the American Chemical Society, 1946 , vol. 68, p. 187,189

Safety Information

Download SDS
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   39.19
  • LogP   3.5989
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   8

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