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CS-W001157 4
Total: USD 88.00

Methyl non-2-ynoate

  • CAS No. 111-80-8

  • Cat. No. CS-W014298
  • Purity≥95%
  • MDL No.MFCD00009547

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

Methyl non-2-ynoate|CS-W014298

Structure of 111-80-8

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General Information

  • CAS No. 111-80-8
  • Cat. No. CS-W014298
  • Purity ≥95%
  • MDL No. MFCD00009547
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆O₂
  • Molecular Weight 168.24
  • Synonym(s) Methyl octyne carbonate
  • SMILES CCCCCCC#CC(OC)=O

Synthesis

  • Route1
    • null|null
      629-05-0
    • null|null
      79-22-1
    • ~10%
    • Methyl non-2-ynoate|CS-W014298
      111-80-8

    References

    • Trost, Barry M.; Taft, Benjamin R.; Masters, James T.; Lumb, Jean-Philip Journal of the American Chemical Society, 2011 , vol. 133, # 22 p. 8502 - 8505
  • Route2
    • null|null
      68113-72-4
    • null|null
      79-22-1
    • ~70%
    • Methyl non-2-ynoate|CS-W014298
      111-80-8

    References

    • Negishi, Ei-ichi; Bagheri, Vahid; Chatterjee, Sugata; Luo, Fen-Tair; Miller, Joseph A.; Stoll, A. Timothy Tetrahedron Letters, 1983 , vol. 24, # 47 p. 5181 - 5184
  • Route3
    • 2-Nonynoic acid|CS-0514578
      1846-70-4
    • null|null
      74-88-4
    • ~%
    • Methyl non-2-ynoate|CS-W014298
      111-80-8

    References

    • European Journal of Organic Chemistry, , # 13 p. 2507 - 2511

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.1332
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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