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CS-W001157 4
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Methyl hept-2-ynoate

  • CAS No. 18937-78-5

  • Cat. No. CS-0297332
  • Molecule weight140.18
  • Purity≥97%
  • MDL No.None

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

Methyl hept-2-ynoate|CS-0297332

Structure of 18937-78-5

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General Information

  • CAS No. 18937-78-5
  • Cat. No. CS-0297332
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₂
  • Molecular Weight 140.18
  • Synonym(s) METHYL 2-HEPTYNOATE
  • SMILES CCCCC#CC(=O)OC

Synthesis

  • Route1
    • null|null
      79-22-1
    • null|null
      693-02-7
    • ~93%
    • Methyl hept-2-ynoate|CS-0297332
      18937-78-5

    References

    • Vercruysse, Sebastien; Cornelissen, Loic; Nahra, Fady; Collard, Laurent; Riant, Olivier Chemistry - A European Journal, 2014 , vol. 20, # 7 p. 1834 - 1838
  • Route2
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • null|null
      693-02-7
    • ~55%
    • Methyl hept-2-ynoate|CS-0297332
      18937-78-5

    References

    • Chiarotto; Carelli Synthetic Communications, 2002 , vol. 32, # 6 p. 881 - 886
  • Route3
    • null|null
      67-56-1
    • Hept-2-ynoic acid|CS-0297331
      1483-67-6
    • ~%
    • Methyl hept-2-ynoate|CS-0297332
      18937-78-5

    References

    • Binet du Jassonneix,C.; Lallemand,J.Y. Bulletin de la Societe Chimique de France, 1977 , p. 1223 - 1226

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.353
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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