Cas no 29468-39-1 (Benzoic acid, hydroxy-,propyl ester)

Benzoic acid, hydroxy-,propyl ester structure
29468-39-1 structure
Product Name:Benzoic acid, hydroxy-,propyl ester
CAS No:29468-39-1
MF:C10H12O3
MW:180.200483322144
CID:282964
PubChem ID:69092
Update Time:2025-04-19

Benzoic acid, hydroxy-,propyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, hydroxy-,propyl ester
    • NSC 8221
    • SY051034
    • S0441
    • Z53833297
    • Benzoic acid, 2-hydroxy-, propyl ester
    • CHEMBL1986011
    • NS00034455
    • AS-58245
    • MFCD00045763
    • 29468-39-1
    • NSC8221
    • 8CP40IDZ6D
    • NCGC00180996-01
    • Propyl salicylate, AldrichCPR
    • SCHEMBL39575
    • Propyl salicylate
    • CAS-607-90-9
    • PROPYL SALICYLATE [WHO-DD]
    • Tox21_112649
    • DTXSID3046790
    • D85924
    • Salicylic acid, propyl ester
    • 2-Hydroxybenzoic Acid Propyl Ester
    • Benzoic acid, hydroxy-, propyl ester
    • EINECS 210-145-3
    • Salicylic Acid Propyl Ester
    • Propyl 2-Hydroxybenzoate
    • DTXCID1026790
    • Q27270196
    • 607-90-9
    • Propyl o-hydroxybenzoate
    • 2-Hydroxy-benzoic acid propyl ester
    • UNII-8CP40IDZ6D
    • CS-0187616
    • NSC-8221
    • Salicylic acid n-propyl ester
    • FT-0632530
    • Salicylic acid, n-propyl ester
    • AKOS008947778
    • n-Propyl salicylate
    • AI3-23185
    • Inchi： 1S/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3
    • InChI Key： LZFIOSVZIQOVFW-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1O)=O)CCC

Computed Properties

  • Exact Mass: 180.078644
  • Monoisotopic Mass: 180.078644
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 46.5

Experimental Properties

  • Density: 1.134
  • Boiling Point: 239°Cat760mmHg
  • Flash Point: 100.5°C

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