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CS-W001157 4
Total: USD 88.00

Methyl 7-phenylheptanoate

  • CAS No. 101689-18-3

  • Cat. No. CS-0442725
  • Molecule weight220.31
  • Purity≥98%
  • MDL No.None

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

Methyl 7-phenylheptanoate|CS-0442725

Structure of 101689-18-3

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General Information

  • CAS No. 101689-18-3
  • Cat. No. CS-0442725
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀O₂
  • Molecular Weight 220.31
  • Synonym(s) 7-phenylheptanoic acid methyl ester
  • SMILES COC(=O)CCCCCCC1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      260050-21-3
    • ~93%
    • Methyl 7-phenylheptanoate|CS-0442725
      101689-18-3

    References

    • De Esch; Gaffar; Menge; Timmerman Bioorganic and medicinal chemistry, 1999 , vol. 7, # 12 p. 3003 - 3009
  • Route2
    • Methyl 5-iodopentanoate|CS-0695599
      14273-88-2
    • null|null
      90878-19-6
    • ~61%
    • Methyl 7-phenylheptanoate|CS-0442725
      101689-18-3

    References

    • Guisan-Ceinos, Manuel; Soler-Yanes, Rita; Collado-Sanz, Daniel; Phapale, Vilas B.; Bunuel, Elena; Cardenas, Diego J. Chemistry - A European Journal, 2013 , vol. 19, # 26 p. 8405 - 8410
  • Route3

    References

    • Bioorganic and medicinal chemistry, , vol. 7, # 12 p. 3003 - 3009

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.3526
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   7

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