Cas no 63317-89-5 (Mono(4-hydroxybutyl) Terephthalate (>90%))

Mono(4-hydroxybutyl) Terephthalate (>90%) structure
63317-89-5 structure
Product Name:Mono(4-hydroxybutyl) Terephthalate (>90%)
CAS No:63317-89-5
MF:C12H13O5
MW:237.228624105453
MDL:MFCD20259705
CID:426828
Update Time:2025-04-19

Mono(4-hydroxybutyl) Terephthalate (>90%) Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylic acid, mono(4-hydroxybutyl) ester
    • 1,4-Benzenedicarboxylicacid,1-(4-hydroxybutyl)ester
    • 4-(4-hydroxybutoxycarbonyl)benzoate
    • 4-[(4-HYDROXYBUTOXY)CARBONYL]BENZOATE
    • Mono(4-hydroxybutyl) Terephthalate (>90%)
    • MDL: MFCD20259705
    • Inchi: 1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)/p-1
    • InChI Key: QOBMQTZOKFYGNH-UHFFFAOYSA-M
    • SMILES: O(C(C1C=CC(C(=O)[O-])=CC=1)=O)CCCCO

Computed Properties

  • Exact Mass: 237.07629
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 250
  • XLogP3: 2.9
  • Topological Polar Surface Area: 86.7

Experimental Properties

  • PSA: 86.66

Mono(4-hydroxybutyl) Terephthalate (>90%) Pricemore >>

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