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CS-W001157 4
Total: USD 88.00

5-Methyl-3-heptanone

  • CAS No. 541-85-5

  • Cat. No. CS-0149261
  • Molecule weight128.21
  • Purity≥98%
  • MDL No.MFCD00009340

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

5-Methyl-3-heptanone|CS-0149261

Structure of 541-85-5

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General Information

  • CAS No. 541-85-5
  • Cat. No. CS-0149261
  • Purity ≥98%
  • MDL No. MFCD00009340
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O
  • Molecular Weight 128.21
  • Synonym(s) None
  • SMILES CCC(CC(C)CC)=O

Synthesis

  • Route1
    • null|null
      78-92-2
    • ~60%
    • 5-Methylheptan-3-ol|CS-0333760
      18720-65-5
    • 5-Methyl-3-heptanone|CS-0149261
      541-85-5

    References

    • Applied Catalysis A: General, , vol. 462-463, p. 137 - 142
  • Route2
    • null|null
      78-93-3
    • ~%
    • 5-Methyl-3-heptanone|CS-0149261
      541-85-5

    References

    • Journal of the American Chemical Society, , vol. 53, p. 767
  • Route3
    • null|null
      67-63-0
    • null|null
      78-93-3
    • ~%
    • 5-Methyl-3-heptanone|CS-0149261
      541-85-5

    References

    • Journal of Organic Chemistry, , vol. 7, p. 189,196

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 2271
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P304+P340-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.4017
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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