Cas no 105603-46-1 (Benzoic acid, 2,3-dihydroxy-, propyl ester)

Benzoic acid, 2,3-dihydroxy-, propyl ester structure
105603-46-1 structure
Product Name:Benzoic acid, 2,3-dihydroxy-, propyl ester
CAS No:105603-46-1
MF:C10H12O4
MW:196.199883460999
CID:1157610
Update Time:2024-07-26

Benzoic acid, 2,3-dihydroxy-, propyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,3-dihydroxy-, propyl ester
    • 1-O-Benzoylglycerin
    • 3-O-Benzoylglycerol
    • Benzoic acid (2,3-dihydroxypropyl) ester
    • Benzoic acid 2,3-dihydroxypropyl ester
    • Inchi: 1S/C10H12O4/c1-2-6-14-10(13)7-4-3-5-8(11)9(7)12/h3-5,11-12H,2,6H2,1H3
    • InChI Key: QZHONAXLUWHXNE-UHFFFAOYSA-N
    • SMILES: C(OCCC)(=O)C1=CC=CC(O)=C1O

Computed Properties

  • Exact Mass: 196.07356

Experimental Properties

  • Density: 1.248±0.06 g/cm3(Predicted)
  • Boiling Point: 320.3±22.0 °C(Predicted)
  • PSA: 66.76
  • pka: 7.86±0.35(Predicted)
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