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CS-W001157 4
Total: USD 88.00

5-Methylhept-2-en-4-one

  • CAS No. 81925-81-7

  • Cat. No. CS-W013495
  • Purity≥98%
  • MDL No.MFCD00792509

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

5-Methylhept-2-en-4-one|CS-W013495

Structure of 81925-81-7

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General Information

  • CAS No. 81925-81-7
  • Cat. No. CS-W013495
  • Purity ≥98%
  • MDL No. MFCD00792509
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O
  • Molecular Weight 126.20
  • Synonym(s) None
  • SMILES CCC(C)C(=O)C=CC

Synthesis

  • Route1
    • null|null
      60824-08-0
    • ~%
    • 5-Methylhept-2-en-4-one|CS-W013495
      81925-81-7

    References

    • Journal of the American Chemical Society, , vol. 61, p. 3306
  • Route2
    • null|null
      81925-73-7
    • ~%
    • 5-Methylhept-2-en-4-one|CS-W013495
      81925-81-7
    • null|null
      81925-80-6

    References

    • Helvetica Chimica Acta, , vol. 70, p. 1858 - 1878
  • Route3
    • 5-Methyl-2,4-heptanedione|CS-0698875
      40568-43-2
    • ~%
    • 5-Methylhept-2-en-4-one|CS-W013495
      81925-81-7

    References

    • Journal of the American Chemical Society, , vol. 61, p. 3306

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.1777
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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