Cas no 97937-36-5 (1,5-Pentanediol, 2,4-dimethyl-, monoacetate, (2S,4R)-)

1,5-Pentanediol, 2,4-dimethyl-, monoacetate, (2S,4R)- structure
97937-36-5 structure
Product Name:1,5-Pentanediol, 2,4-dimethyl-, monoacetate, (2S,4R)-
CAS No:97937-36-5
MF:C9H18O3
MW:174.237423419952
CID:750829
Update Time:2024-01-31

1,5-Pentanediol, 2,4-dimethyl-, monoacetate, (2S,4R)- Chemical and Physical Properties

Names and Identifiers

    • 1,5-Pentanediol, 2,4-dimethyl-, monoacetate, (2S,4R)-
    • 1,5-Pentanediol, 2,4-dimethyl-, 1-acetate, (2S,4R)-
    • Inchi: 1S/C9H18O3/c1-7(5-10)4-8(2)6-12-9(3)11/h7-8,10H,4-6H2,1-3H3/t7-,8+/m1/s1
    • InChI Key: PPWUGJRYPLAOPM-SFYZADRCSA-N
    • SMILES: C(OC(=O)C)[C@@H](C)C[C@@H](C)CO

Experimental Properties

  • Density: 0.974±0.06 g/cm3(Predicted)
  • Boiling Point: 241.1±23.0 °C(Predicted)
  • pka: 14.98±0.10(Predicted)
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