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CS-W001157 4
Total: USD 88.00

5-Methylheptan-2-one

  • CAS No. 18217-12-4

  • Cat. No. CS-0243170
  • Molecule weight128.21
  • Purity≥97%
  • MDL No.None

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

5-Methylheptan-2-one|CS-0243170

Structure of 18217-12-4

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General Information

  • CAS No. 18217-12-4
  • Cat. No. CS-0243170
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O
  • Molecular Weight 128.21
  • Synonym(s) 5-Methyl-2-heptanone
  • SMILES CC(CCC(C)CC)=O

Synthesis

  • Route1
    • 3,6-Dimethyloctane|CS-0770772
      15869-94-0
    • ~%
    • 5-Methylheptan-2-one|CS-0243170
      18217-12-4
    • null|null
      77-74-7
    • null|null
      151-19-9
    • 3,6-Dimethyloctane-3,6-diol|CS-0874822
      78-65-9
    • null|null
      118452-32-7

    References

    • Rontani, J-F.; Giusti, G. Tetrahedron Letters, 1988 , vol. 29, # 16 p. 1923 - 1926
  • Route2
    • null|null
      598-30-1
    • null|null
      78-94-4
    • ~95%
    • 5-Methylheptan-2-one|CS-0243170
      18217-12-4

    References

    • Zinn, Fabiano K.; Ramos, Eduardo C.; Comasseto, Joao V. Tetrahedron Letters, 2001 , vol. 42, # 13 p. 2415 - 2417
  • Route3
    • 5-Methylheptan-2-ol|CS-0453462
      54630-50-1
    • ~70%
    • 5-Methylheptan-2-one|CS-0243170
      18217-12-4

    References

    • Akamanchi, Krishnacharya G.; Chaudhari, Bapu A. Tetrahedron Letters, 1997 , vol. 38, # 39 p. 6925 - 6928

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-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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