Cas no 6299-66-7 (4-ethylhexanoic acid)

4-ethylhexanoic acid structure
4-ethylhexanoic acid structure
Product Name:4-ethylhexanoic acid
CAS No:6299-66-7
MF:C8H16O2
MW:144.211442947388
MDL:MFCD00870846
CID:526758
PubChem ID:22734
Update Time:2025-04-19

4-ethylhexanoic acid Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 4-ethyl-
    • 4-ethylhexanoic acid
    • 4-Aethyl-hexansaeure
    • 4-ethyl-hexanoic acid
    • 4-Ethylhexansaeure
    • 4-Ethyl-hexansaeure
    • AC1L2KZ5
    • CTK2F8568
    • diethyl butyric acid
    • NSC44869
    • NSC 44869
    • A1-08735
    • UNII-COT3ZV32XS
    • LMFA01020149
    • EN300-223579
    • CS-0240052
    • F88099
    • 6299-66-7
    • DTXSID80212200
    • CHEBI:179955
    • Hexanoic acid,4-ethyl-
    • SCHEMBL1009649
    • AKOS011596388
    • COT3ZV32XS
    • NSC-44869
    • MDL: MFCD00870846
    • Inchi: 1S/C8H16O2/c1-3-7(4-2)5-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
    • InChI Key: KJYXVWHRKCNYKU-UHFFFAOYSA-N
    • SMILES: OC(CCC(CC)CC)=O

Computed Properties

  • Exact Mass: 144.11508
  • Monoisotopic Mass: 144.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 95.4
  • 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
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 2.5

Experimental Properties

  • Density: 0.926±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 121-122 oC (0.8 Torr)
  • Flash Point: 116.6±6.9 oC,
  • Refractive Index: 1.4320 (589.3 nm 25 oC)
  • Solubility: Slightly soluble (2.3 g/l) (25 o C),
  • PSA: 37.3

4-ethylhexanoic acid Pricemore >>

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