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CS-W001157 4
Total: USD 88.00

Benzyl nicotinate

  • CAS No. 94-44-0

  • Cat. No. CS-B1730
  • Purity≥95%
  • MDL No.MFCD00023584

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

Benzyl nicotinate|CS-B1730

Structure of 94-44-0

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General Information

  • CAS No. 94-44-0
  • Cat. No. CS-B1730
  • Purity ≥95%
  • MDL No. MFCD00023584
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO₂
  • Molecular Weight 213.24
  • Synonym(s) None
  • SMILES O=C(C1=CC=CN=C1)OCC2=CC=CC=C2

Description

-Decalactone is the main flavor compound found in nonfat dry milk, evaporated and dried whole milk. It is also reported to be responsible for the coconut-like off-flavor in fat-containing dairy products.

Synthesis

  • Route1

    References

    • Grasa, Gabriela A.; Gueveli, Tatyana; Singh, Rohit; Nolan, Steven P. Journal of Organic Chemistry, 2003 , vol. 68, # 7 p. 2812 - 2819
  • Route2

    References

    • Ballester-Rodes, M.; Palomo-Coll, A. L. Synthetic Communications, 1984 , vol. 14, # 6 p. 515 - 520
  • Route3
    • null|null
      1345837-77-5
    • ~82%
    • In-stock
      Benzyl nicotinate|CS-B1730
      94-44-0

    References

    • Graham, Thomas H.; Liu, Wensheng; Shen, Dong-Ming Organic Letters, 2011 , vol. 13, # 23 p. 6232 - 6235

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.4386
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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