Cas no 585564-52-9 (2,4-Pentanediol, 3-butyl-3-methyl-)

2,4-Pentanediol, 3-butyl-3-methyl- structure
585564-52-9 structure
Product Name:2,4-Pentanediol, 3-butyl-3-methyl-
CAS No:585564-52-9
MF:C10H22O2
MW:174.280483722687
CID:1611920
Update Time:2024-09-13

2,4-Pentanediol, 3-butyl-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2,4-Pentanediol, 3-butyl-3-methyl-
    • Inchi: 1S/C10H22O2/c1-5-6-7-10(4,8(2)11)9(3)12/h8-9,11-12H,5-7H2,1-4H3
    • InChI Key: GRADOZSUHSGPHE-UHFFFAOYSA-N
    • SMILES: CC(O)C(CCCC)(C)C(O)C

Computed Properties

  • Exact Mass: 174.16206

Experimental Properties

  • Density: 0.920±0.06 g/cm3(Predicted)
  • Boiling Point: 244.3±8.0 °C(Predicted)
  • PSA: 40.46
  • pka: 14.83±0.20(Predicted)

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