Cas no 25462-28-6 (2-(pentan-3-yl)propane-1,3-diol)

2-(pentan-3-yl)propane-1,3-diol structure
25462-28-6 structure
Product Name:2-(pentan-3-yl)propane-1,3-diol
CAS No:25462-28-6
MF:C8H18O2
MW:146.227323055267
CID:279738
PubChem ID:213079
Update Time:2025-09-17

2-(pentan-3-yl)propane-1,3-diol Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2-(1-ethylpropyl)-
    • 2-pentan-3-ylpropane-1,3-diol
    • 2-(pentan-3-yl)propane-1,3-diol
    • EN300-1459177
    • BRN 1847380
    • SCHEMBL5907137
    • DTXSID60180135
    • 1,3-Propanediol, 2-(1-ethylpropyl)-
    • 2-(1-Ethylpropyl)-1,3-propanediol
    • 25462-28-6
    • Inchi: 1S/C8H18O2/c1-3-7(4-2)8(5-9)6-10/h7-10H,3-6H2,1-2H3
    • InChI Key: PMYMNKGSHYYMNT-UHFFFAOYSA-N
    • SMILES: OCC(CO)C(CC)CC

Computed Properties

  • Exact Mass: 146.13074
  • Monoisotopic Mass: 146.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 65.7
  • 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
  • XLogP3: 1.5
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 0.935
  • Boiling Point: 242.5°Cat760mmHg
  • Flash Point: 125.6°C
  • Refractive Index: 1.45
  • PSA: 40.46

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