Cas no 139520-76-6 (Tetradecanoic acid, 2-butyl-3-oxo-, ethyl ester, (S)-)

Tetradecanoic acid, 2-butyl-3-oxo-, ethyl ester, (S)- structure
139520-76-6 structure
Product Name:Tetradecanoic acid, 2-butyl-3-oxo-, ethyl ester, (S)-
CAS No:139520-76-6
MF:C20H38O3
MW:326.51392698288
CID:1273841
Update Time:2024-08-04

Tetradecanoic acid, 2-butyl-3-oxo-, ethyl ester, (S)- Chemical and Physical Properties

Names and Identifiers

    • Tetradecanoic acid, 2-butyl-3-oxo-, ethyl ester, (S)-
    • Tetradecanoic acid, 2-butyl-3-oxo-, ethyl ester, (S)- (9CI)
    • Inchi： 1S/C20H38O3/c1-4-7-9-10-11-12-13-14-15-17-19(21)18(16-8-5-2)20(22)23-6-3/h18H,4-17H2,1-3H3/t18-/m0/s1
    • InChI Key： SSRRHXSDKJMJTH-SFHVURJKSA-N
    • SMILES： C(OCC)(=O)[C@@H](CCCC)C(=O)CCCCCCCCCCC

Computed Properties

  • Exact Mass: 326.28224

Experimental Properties

  • Density: 0.907±0.06 g/cm3(Predicted)
  • Boiling Point: 352.4±10.0 °C(Predicted)
  • PSA: 43.37
  • pka: 12.30±0.46(Predicted)

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