Cas no 104157-02-0 (Hexadecanoic acid, 2-hydroxy-2-(hydroxymethyl)-)

Hexadecanoic acid, 2-hydroxy-2-(hydroxymethyl)- structure
104157-02-0 structure
Product Name:Hexadecanoic acid, 2-hydroxy-2-(hydroxymethyl)-
CAS No:104157-02-0
MF:C17H34O4
MW:302.449466228485
CID:1141179
Update Time:2024-07-27

Hexadecanoic acid, 2-hydroxy-2-(hydroxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • Hexadecanoic acid, 2-hydroxy-2-(hydroxymethyl)-
    • Inchi： 1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21,15-18)16(19)20/h18,21H,2-15H2,1H3,(H,19,20)
    • InChI Key： OTPUGTHIGKQCSA-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C(O)(CO)CCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 302.24582

Experimental Properties

  • Density: 1.012±0.06 g/cm3(Predicted)
  • Melting Point: 115-120 °C(Solv: ethyl acetate (141-78-6))
  • Boiling Point: 463.8±30.0 °C(Predicted)
  • PSA: 77.76
  • pka: 3.43±0.41(Predicted)

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