Cas no 135587-34-7 (2,3,5-Hexanetriol, 2,5-dimethyl-, (S)-)

2,3,5-Hexanetriol, 2,5-dimethyl-, (S)- structure
135587-34-7 structure
Product Name:2,3,5-Hexanetriol, 2,5-dimethyl-, (S)-
CAS No:135587-34-7
MF:C8H18O3
MW:162.226723194122
CID:1238472
Update Time:2024-08-03

2,3,5-Hexanetriol, 2,5-dimethyl-, (S)- Chemical and Physical Properties

Names and Identifiers

    • 2,3,5-Hexanetriol, 2,5-dimethyl-, (S)-
    • 2,3,5-Hexanetriol, 2,5-dimethyl-, (3S)-
    • Inchi: 1S/C8H18O3/c1-7(2,10)5-6(9)8(3,4)11/h6,9-11H,5H2,1-4H3/t6-/m0/s1
    • InChI Key: FBXSZGNVSVBZFT-LURJTMIESA-N
    • SMILES: CC(C)(O)[C@@H](O)CC(C)(O)C

Computed Properties

  • Exact Mass: 162.12564

Experimental Properties

  • Density: 1.056±0.06 g/cm3(Predicted)
  • Melting Point: 52-54 °C
  • Boiling Point: 296.2±20.0 °C(Predicted)
  • PSA: 60.69
  • pka: 14.71±0.29(Predicted)
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