Cas no 848130-90-5 (3-hydroxy-5-methylphenyl benzoate)

3-hydroxy-5-methylphenyl benzoate structure
848130-90-5 structure
Product Name:3-hydroxy-5-methylphenyl benzoate
CAS No:848130-90-5
MF:C14H12O3
MW:228.243284225464
CID:68938
PubChem ID:29922228
Update Time:2025-04-18

3-hydroxy-5-methylphenyl benzoate Chemical and Physical Properties

Names and Identifiers

    • 3-hydroxy-5-methylphenyl benzoate
    • (3-hydroxy-5-methylphenyl) benzoate
    • 1,3-Benzenediol,5-methyl-,1-benzoate
    • Benzoic acid 3,5-dimethylphenyl ester
    • DTXSID20652186
    • Benzoic acid 3-Hydroxy-5-methylphenyl ester
    • 848130-90-5
    • 1,3-Benzenediol,5-methyl-, 1-benzoate
    • AKOS015899959
    • SCHEMBL17376972
    • 3,4-Dihydro-2H-benzo[f][1,4]oxazepine hydrochloride
    • FT-0704694
    • DB-076133
    • G71692
    • Inchi: 1S/C14H12O3/c1-10-7-12(15)9-13(8-10)17-14(16)11-5-3-2-4-6-11/h2-9,15H,1H3
    • InChI Key: HYLQICWQHBSZQZ-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1)=O)C1=CC(=CC(C)=C1)O

Computed Properties

  • Exact Mass: 228.07900
  • Monoisotopic Mass: 228.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 258
  • 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
  • Topological Polar Surface Area: 46.5A^2
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.216
  • Boiling Point: 375.2°C at 760 mmHg
  • Flash Point: 160.4°C
  • Refractive Index: 1.605
  • PSA: 46.53000
  • LogP: 2.91980

3-hydroxy-5-methylphenyl benzoate Pricemore >>

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