Cas no 167545-33-7 (4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione)

4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione is a specialized organic compound with distinctive properties. This cyclic ketone boasts enhanced stability, which contributes to its resistance against thermal degradation and photolysis. Its rigid structure offers a platform for diverse chemical transformations, making it an attractive candidate in synthesis of pharmaceuticals, agrochemicals, and materials science applications.
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione structure
167545-33-7 structure
Product Name:4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione
CAS No:167545-33-7
MF:C13H24O2
MW:212.328464508057
CID:110963
PubChem ID:546088
Update Time:2025-07-25

4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione Chemical and Physical Properties

Names and Identifiers

    • 3,5-Heptanedione,4-ethyl-2,2,6,6-tetramethyl-
    • 3,5-Heptanedione, 4-ethyl-2,2,6,6-tetramethyl-
    • 4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione
    • 167545-33-7
    • 4-Ethyl-2,2,6,6-tetramethyl-3,5-heptanedione #
    • JKEWQMMYIOHEBI-UHFFFAOYSA-N
    • EN300-1127399
    • SCHEMBL8460018
    • CHEBI:229371
    • Inchi: 1S/C13H24O2/c1-8-9(10(14)12(2,3)4)11(15)13(5,6)7/h9H,8H2,1-7H3
    • InChI Key: JKEWQMMYIOHEBI-UHFFFAOYSA-N
    • SMILES: O=C(C(C)(C)C)C(CC)C(C(C)(C)C)=O

Computed Properties

  • Exact Mass: 212.17772
  • Monoisotopic Mass: 212.177630004g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 225
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione Pricemore >>

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