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CS-W001157 4
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Methyl hex-2-ynoate

  • CAS No. 18937-79-6

  • Cat. No. CS-0296866
  • Molecule weight126.15
  • Purity≥98%
  • MDL No.None

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

Methyl hex-2-ynoate|CS-0296866

Structure of 18937-79-6

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General Information

  • CAS No. 18937-79-6
  • Cat. No. CS-0296866
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₂
  • Molecular Weight 126.15
  • Synonym(s) METHYL 2-HEXYNOATEMETHYL 2-HEXYNOATEMETHYL 2-HEXYNOATEMETHYL 2-HEXYNOATE
  • SMILES CCCC#CC(=O)OC

Synthesis

  • Route1
    • null|null
      627-19-0
    • null|null
      79-22-1
    • ~80%
    • Methyl hex-2-ynoate|CS-0296866
      18937-79-6

    References

    • Journal of Organic Chemistry, , vol. 63, # 21 p. 7472 - 7480
  • Route2
    • null|null
      67-56-1
    • 2-Hexynoic acid|CS-0204403
      764-33-0
    • ~%
    • Methyl hex-2-ynoate|CS-0296866
      18937-79-6

    References

    • Journal of the American Chemical Society, , vol. 63, p. 1151
  • Route3
    • null|null
      59696-69-4
    • ~%
    • Methyl hex-2-ynoate|CS-0296866
      18937-79-6

    References

    • Justus Liebigs Annalen der Chemie, , p. 282 - 287

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   0.9629
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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