Cas no 144192-29-0 (Cyclohexanecarboxylic acid, 2-butyl-6-oxo-, ethyl ester)

Cyclohexanecarboxylic acid, 2-butyl-6-oxo-, ethyl ester structure
144192-29-0 structure
Product Name:Cyclohexanecarboxylic acid, 2-butyl-6-oxo-, ethyl ester
CAS No:144192-29-0
MF:C13H22O3
MW:226.311984539032
CID:1314870
Update Time:2024-08-18

Cyclohexanecarboxylic acid, 2-butyl-6-oxo-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylic acid, 2-butyl-6-oxo-, ethyl ester
    • Inchi： 1S/C13H22O3/c1-3-5-7-10-8-6-9-11(14)12(10)13(15)16-4-2/h10,12H,3-9H2,1-2H3
    • InChI Key： WZEHMPSGGDSRGM-UHFFFAOYSA-N
    • SMILES： C1(C(OCC)=O)C(=O)CCCC1CCCC

Computed Properties

  • Exact Mass: 226.15696

Experimental Properties

  • Density: 0.994±0.06 g/cm3(Predicted)
  • Boiling Point: 310.4±35.0 °C(Predicted)
  • PSA: 43.37
  • pka: 12.12±0.40(Predicted)

Cyclohexanecarboxylic acid, 2-butyl-6-oxo-, ethyl ester Related Literature

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