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CS-W001157 4
Total: USD 88.00

2,4,4-Trimethylcyclopentan-1-one

  • CAS No. 4694-12-6

  • Cat. No. CS-0214582
  • Molecule weight126.20
  • Purity≥98%
  • MDL No.None

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

2,4,4-Trimethylcyclopentan-1-one|CS-0214582

Structure of 4694-12-6

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General Information

  • CAS No. 4694-12-6
  • Cat. No. CS-0214582
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O
  • Molecular Weight 126.20
  • Synonym(s) Cyclopentanone, 2,4,4-trimethyl-
  • SMILES CC1CC(C)(C)CC1=O

Synthesis

  • Route1
    • null|null
      10275-88-4
    • ~53%
    • 2,4,4-Trimethylcyclopentan-1-one|CS-0214582
      4694-12-6
    • null|null
      104461-82-7

    References

    • Tetrahedron, , vol. 63, # 16 p. 3367 - 3379
  • Route2
    • null|null
      10275-88-4
    • ~%
    • 2,4,4-Trimethylcyclopentan-1-one|CS-0214582
      4694-12-6

    References

    • Journal of Organic Chemistry, , vol. 45, # 24 p. 5008 - 5009
  • Route3

    References

    • Bulletin des Societes Chimiques Belges, , vol. 94, # 1 p. 75 - 80

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.0116
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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