Cas no 72245-46-6 (Poly[oxy(methyl-1,2-ethanediyl)],a-benzoyl-w-(benzoyloxy)-)

Poly[oxy(methyl-1,2-ethanediyl)],a-benzoyl-w-(benzoyloxy)- structure
72245-46-6 structure
Product Name:Poly[oxy(methyl-1,2-ethanediyl)],a-benzoyl-w-(benzoyloxy)-
CAS No:72245-46-6
MF:C9H12O4
MW:184.189183235168
CID:569551
PubChem ID:16213011
Update Time:2025-04-19

Poly[oxy(methyl-1,2-ethanediyl)],a-benzoyl-w-(benzoyloxy)- Chemical and Physical Properties

Names and Identifiers

    • Poly[oxy(methyl-1,2-ethanediyl)],a-benzoyl-w-(benzoyloxy)-
    • (POLYPROPYLENE GLYCOL DIBENZOATE)
    • 1,2-Propanediyl dibenzoate
    • Poly(oxy(methyl-1,2-ethanediyl)), alpha-benzoyl-omega-(benzoyloxy)-
    • Polyoxypropylene dibenzoate
    • 85875-42-9
    • 72245-46-6
    • Benzoic acid--ethane-1,2-diol (1/1)
    • SCHEMBL226025
    • benzoic acid;ethane-1,2-diol
    • DTXSID00583762
    • CLWGSKZGXLUNRY-UHFFFAOYSA-N
    • Inchi: 1S/C7H6O2.C2H6O2/c8-7(9)6-4-2-1-3-5-6;3-1-2-4/h1-5H,(H,8,9);3-4H,1-2H2
    • InChI Key: CLWGSKZGXLUNRY-UHFFFAOYSA-N
    • SMILES: OCCO.OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 184.07355886g/mol
  • Monoisotopic Mass: 184.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 360
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 3.5
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • Density: 1.103?g/mL?at 25?°C(lit.)
  • Boiling Point: 263?°C/5?mmHg(lit.)
  • Flash Point: 113?°C
  • Refractive Index: n20/D 1.518(lit.)
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