Cas no 80246-71-5 (ethyl 2-cyclooctylacetate)

Ethyl 2-cyclooctylacetate is a cyclic ester compound characterized by its cyclooctyl backbone and ethyl acetate functional group. This structure imparts moderate lipophilicity and stability, making it suitable for applications in organic synthesis, fragrances, and specialty solvents. Its cyclic nature provides steric hindrance, which can influence reactivity in catalytic processes or serve as a building block for more complex molecular architectures. The ester group offers versatility for further derivatization, such as hydrolysis or transesterification. Ethyl 2-cyclooctylacetate is typically synthesized via esterification of 2-cyclooctylacetic acid with ethanol, yielding a product with consistent purity and performance in industrial and laboratory settings.
ethyl 2-cyclooctylacetate structure
ethyl 2-cyclooctylacetate structure
Product Name:ethyl 2-cyclooctylacetate
CAS No:80246-71-5
MF:C12H22O2
MW:198.301884174347
MDL:MFCD29087910
CID:4193374
PubChem ID:14945139
Update Time:2025-05-28

ethyl 2-cyclooctylacetate Chemical and Physical Properties

Names and Identifiers

    • Cyclooctaneacetic acid, ethyl ester
    • ethyl 2-cyclooctylacetate
    • Ethyl cyclooctaneacetate
    • DTXSID801312755
    • SCHEMBL26914635
    • EN300-27746098
    • 80246-71-5
    • MDL: MFCD29087910
    • Inchi: 1S/C12H22O2/c1-2-14-12(13)10-11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3
    • InChI Key: NKALRBUYNYQWBB-UHFFFAOYSA-N
    • SMILES: C1(CC(OCC)=O)CCCCCCC1

Computed Properties

  • Exact Mass: 198.161979940Da
  • Monoisotopic Mass: 198.161979940Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 158
  • 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: 4.2
  • Topological Polar Surface Area: 26.3?2

ethyl 2-cyclooctylacetate Pricemore >>

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