Cas no 3002-63-9 (Hexanoic acid,2-ethyl-, aluminum salt (3:1))

Hexanoic acid,2-ethyl-, aluminum salt (3:1) structure
3002-63-9 structure
Product Name:Hexanoic acid,2-ethyl-, aluminum salt (3:1)
CAS No:3002-63-9
MF:C24H45AlO6
MW:456.592047452927
CID:315504
PubChem ID:102923
Update Time:2025-04-19

Hexanoic acid,2-ethyl-, aluminum salt (3:1) Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid,2-ethyl-, aluminum salt (3:1)
    • ALUMINUM 2-ETHYLHEXANOATE
    • AC1L2TUS
    • aluminum tris(2-ethylhexanoate)
    • AR-1H6943
    • EINECS 221-098-3
    • O131
    • Hexanoic acid,2-ethyl aluminium salt
    • 3002-63-9
    • aluminum;2-ethylhexanoate
    • Aluminium 2-ethylhexanoate
    • NS00083030
    • DTXSID201337909
    • Inchi: 1S/3C8H16O2.Al/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
    • InChI Key: SHUVPCZKRKOKMU-UHFFFAOYSA-K
    • SMILES: [Al+3].[O-]C(C(CC)CCCC)=O.[O-]C(C(CC)CCCC)=O.[O-]C(C(CC)CCCC)=O

Computed Properties

  • Exact Mass: 456.30300
  • Monoisotopic Mass: 456.303153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 12
  • Complexity: 93.9
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 120

Experimental Properties

  • Color/Form: Not available
  • Boiling Point: 228°Cat760mmHg
  • Flash Point: 116.6°C
  • PSA: 78.90000
  • LogP: 7.06320
  • Solubility: Not available
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