Cas no 55206-69-4 (1,3-Propanediol,2-(hydroxymethyl)-2-[(2-oxiranylmethoxy)methyl]-)

1,3-Propanediol,2-(hydroxymethyl)-2-[(2-oxiranylmethoxy)methyl]- structure
55206-69-4 structure
Product Name:1,3-Propanediol,2-(hydroxymethyl)-2-[(2-oxiranylmethoxy)methyl]-
CAS No:55206-69-4
MF:C8H16O5
MW:192.209643363953
CID:374334
PubChem ID:3016943
Update Time:2025-04-19

1,3-Propanediol,2-(hydroxymethyl)-2-[(2-oxiranylmethoxy)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2-(hydroxymethyl)-2-[(2-oxiranylmethoxy)methyl]-
    • 2-(hydroxymethyl)-2-(oxiran-2-ylmethoxymethyl)propane-1,3-diol
    • 2-[(2,3-epoxypropoxy)methyl]-2-(hydroxymethyl)propane-1,3-diol
    • 2-((2,3-Epoxypropoxy)methyl)-2-(hydroxymethyl)propane-1,3-diol
    • 2-(hydroxymethyl)-2-[(oxiran-2-ylmethoxy)methyl]propane-1,3-diol
    • NS00058147
    • AKOS015901831
    • SCHEMBL1537333
    • 55206-69-4
    • 2-(Hydroxymethyl)-2-{[(oxiran-2-yl)methoxy]methyl}propane-1,3-diol
    • DTXSID40970536
    • EINECS 259-535-5
    • Inchi: 1S/C8H16O5/c9-3-8(4-10,5-11)6-12-1-7-2-13-7/h7,9-11H,1-6H2
    • InChI Key: SRTFSXUQGZSYIO-UHFFFAOYSA-N
    • SMILES: O1CC1COCC(CO)(CO)CO

Computed Properties

  • Exact Mass: 192.09978
  • Monoisotopic Mass: 192.099774
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 137
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 82.4
  • XLogP3: -2.2

Experimental Properties

  • Density: 1.309
  • Boiling Point: 405.2°C at 760 mmHg
  • Flash Point: 198.9°C
  • Refractive Index: 1.525
  • PSA: 82.45
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