Cas no 2539-50-6 (Benzoic acid, 2,4,6-trimethyl-, 2,6-dimethylphenyl ester)

Benzoic acid, 2,4,6-trimethyl-, 2,6-dimethylphenyl ester structure
2539-50-6 structure
Product Name:Benzoic acid, 2,4,6-trimethyl-, 2,6-dimethylphenyl ester
CAS No:2539-50-6
MF:C18H20O2
MW:268.350205421448
CID:1422848
Update Time:2024-08-15

Benzoic acid, 2,4,6-trimethyl-, 2,6-dimethylphenyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,4,6-trimethyl-, 2,6-dimethylphenyl ester
    • 2,6-dimethylphenyl 2,4,6-trimethylbenzoate
    • Inchi： 1S/C18H20O2/c1-11-9-14(4)16(15(5)10-11)18(19)20-17-12(2)7-6-8-13(17)3/h6-10H,1-5H3
    • InChI Key： WQDLYAOPAZKUBH-UHFFFAOYSA-N
    • SMILES： C(OC1=C(C)C=CC=C1C)(=O)C1=C(C)C=C(C)C=C1C

Computed Properties

  • Exact Mass: 268.1464

Experimental Properties

  • Density: 1.055±0.06 g/cm3(Predicted)
  • Melting Point: 103-104 °C
  • Boiling Point: 435.5±45.0 °C(Predicted)
  • PSA: 26.3

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