Cas no 22402-45-5 (1,2-Propanediol,3-(4-hydroxyphenoxy)-)

1,2-Propanediol,3-(4-hydroxyphenoxy)- structure
22402-45-5 structure
Product Name:1,2-Propanediol,3-(4-hydroxyphenoxy)-
CAS No:22402-45-5
MF:C9H12O4
MW:184.189183235168
CID:265854
PubChem ID:89695
Update Time:2025-04-19

1,2-Propanediol,3-(4-hydroxyphenoxy)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Propanediol,3-(4-hydroxyphenoxy)-
    • 2-(4-hydroxyphenoxy)propane-1,3-diol
    • SCHEMBL10748557
    • 1,2-Propanediol, 3-(p-hydroxyphenoxy)-
    • BRN 2366226
    • 22402-45-5
    • DTXSID60176937
    • Inchi: 1S/C9H12O4/c10-5-9(6-11)13-8-3-1-7(12)2-4-8/h1-4,9-12H,5-6H2
    • InChI Key: IGNIFCHMNYFZNK-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)O)C(CO)CO

Computed Properties

  • Exact Mass: 184.07356
  • Monoisotopic Mass: 184.073559
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 128
  • 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: 69.9
  • XLogP3: 0.2

Experimental Properties

  • Density: 1.313
  • Boiling Point: 420.2°Cat760mmHg
  • Flash Point: 208°C
  • Refractive Index: 1.586
  • PSA: 69.92
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