Cas no 68478-36-4 (Aceticacid, decyl ester, branched)

Aceticacid, decyl ester, branched structure
68478-36-4 structure
Product Name:Aceticacid, decyl ester, branched
CAS No:68478-36-4
MF:C12H24O2
MW:200.317764282227
CID:527762
PubChem ID:109395
Update Time:2025-04-19

Aceticacid, decyl ester, branched Chemical and Physical Properties

Names and Identifiers

    • Aceticacid, decyl ester, branched
    • 4-methyl-3-propylhexyl acetate
    • (4-methyl-3-propylhexyl) acetate
    • DTXSID60867636
    • 68478-36-4
    • EINECS 270-817-7
    • NS00011936
    • Inchi： 1S/C12H24O2/c1-5-7-12(10(3)6-2)8-9-14-11(4)13/h10,12H,5-9H2,1-4H3
    • InChI Key： YBWGMVNKXYDKBJ-UHFFFAOYSA-N
    • SMILES： O(C(C)=O)CCC(CCC)C(C)CC

Computed Properties

  • Exact Mass: 200.178
  • Monoisotopic Mass: 200.178
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 154
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2
  • XLogP3: 4.2

Experimental Properties

  • Density: 0.867
  • Boiling Point: 222°Cat760mmHg
  • Flash Point: 91.8°C
  • Refractive Index: 1.427

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