Cas no 499991-76-3 (Benzoic acid, 3-(hydroxymethyl)-5-(1-methylethoxy)-)

Benzoic acid, 3-(hydroxymethyl)-5-(1-methylethoxy)- structure
499991-76-3 structure
Product Name:Benzoic acid, 3-(hydroxymethyl)-5-(1-methylethoxy)-
CAS No:499991-76-3
MF:C11H14O4
MW:210.226463794708
CID:1543400
Update Time:2024-08-24

Benzoic acid, 3-(hydroxymethyl)-5-(1-methylethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-(hydroxymethyl)-5-(1-methylethoxy)-
    • 3-(Hydroxymethyl)-5-(1-methylethoxy)benzoic acid
    • Inchi： 1S/C11H14O4/c1-7(2)15-10-4-8(6-12)3-9(5-10)11(13)14/h3-5,7,12H,6H2,1-2H3,(H,13,14)
    • InChI Key： YRPQEYCTVIJEKA-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C1=CC(OC(C)C)=CC(CO)=C1

Computed Properties

  • Exact Mass: 210.08922

Experimental Properties

  • Density: 1.213±0.06 g/cm3(Predicted)
  • Boiling Point: 399.3±32.0 °C(Predicted)
  • PSA: 66.76
  • pka: 4.10±0.10(Predicted)

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