Cas no 28484-22-2 (Undecanoic acid,2,4,6-trimethyl-)

Undecanoic acid,2,4,6-trimethyl- structure
28484-22-2 structure
Product Name:Undecanoic acid,2,4,6-trimethyl-
CAS No:28484-22-2
MF:C14H28O2
MW:228.370924949646
CID:288569
PubChem ID:34257
Update Time:2025-04-19

Undecanoic acid,2,4,6-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Undecanoic acid,2,4,6-trimethyl-
    • 2,4,6-trimethylundecanoic acid
    • 28484-22-2
    • DTXSID70951171
    • Inchi: 1S/C14H28O2/c1-5-6-7-8-11(2)9-12(3)10-13(4)14(15)16/h11-13H,5-10H2,1-4H3,(H,15,16)
    • InChI Key: BPNZXJQMXYMTHP-UHFFFAOYSA-N
    • SMILES: OC(C(C)CC(C)CC(C)CCCCC)=O

Computed Properties

  • Exact Mass: 228.20904
  • Monoisotopic Mass: 228.20893
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 9
  • Complexity: 189
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3
  • XLogP3: 5.5

Experimental Properties

  • Density: 0.894
  • Boiling Point: 333.8°Cat760mmHg
  • Flash Point: 150.4°C
  • Refractive Index: 1.447
  • PSA: 37.3
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