Cas no 4973-27-7 (4-benzyl-2,6-ditert-butylphenol)

4-Benzyl-2,6-ditert-butylphenol is a sterically hindered phenolic compound widely used as an antioxidant in industrial applications. Its molecular structure, featuring tert-butyl groups at the 2- and 6-positions, enhances stability and effectiveness in inhibiting oxidative degradation processes. The benzyl substituent further contributes to its solubility and compatibility with various organic matrices. This compound is particularly valued for its ability to scavenge free radicals, thereby extending the service life of polymers, lubricants, and other materials exposed to oxidative stress. Its high thermal stability and low volatility make it suitable for high-temperature applications. The compound is commonly employed in synthetic rubbers, plastics, and fuel additives.
4-benzyl-2,6-ditert-butylphenol structure
4973-27-7 structure
Product Name:4-benzyl-2,6-ditert-butylphenol
CAS No:4973-27-7
MF:C21H28O
MW:296.446426391602
CID:1542763
PubChem ID:4651990
Update Time:2025-05-22

4-benzyl-2,6-ditert-butylphenol Chemical and Physical Properties

Names and Identifiers

    • 4-benzyl-2,6-ditert-butylphenol
    • Phenol, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethyl)-
    • AI3-29184
    • 2.6-Di-tert.-butyl-4-benzyl-phenol
    • 4-Benzyl-2,6-di-tert-butyl-phenol
    • 2-Hydroxy-1.3-di-tert.-butyl-5-benzyl-benzol
    • AC1NF2RN
    • 4-Hydroxy-3,5-di-tert.-butyl-diphenylmethan
    • (3,5-di-tert- butyl-4-hydroxybenzyl)benzene
    • 4-Benzyl-2.6-di-tert-butyl-phenol
    • 4-benzyl-2,6-di-tert-butylphenol
    • Phenol, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethyl)-; AI3-29184; 2.6-Di-tert.-butyl-4-benzyl-phenol; 4-Benzyl-2,6-di-tert-butyl-phenol; 2-Hydroxy-1.3-di-tert.-butyl-5-benzyl-benzol; AC1NF2RN; 4-Hydroxy-3,5-di-tert.-butyl-diphenylmethan; (3,5-di-tert- butyl-4-hydroxybenzyl)benzene; 4-Benzyl-2.6-di-tert-butyl-phenol; 4-benzyl-2,6-di-tert-butylphenol;
    • DTXSID50197999
    • 4973-27-7
    • 4-benzyl-2,6-di-t-butylphenol
    • SCHEMBL1187217
    • AKOS024341794
    • Inchi： 1S/C21H28O/c1-20(2,3)17-13-16(12-15-10-8-7-9-11-15)14-18(19(17)22)21(4,5)6/h7-11,13-14,22H,12H2,1-6H3
    • InChI Key： ZAAQJFLUOUQAOG-UHFFFAOYSA-N
    • SMILES： OC1C(=CC(CC2C=CC=CC=2)=CC=1C(C)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 296.214016
  • Monoisotopic Mass: 296.214016
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 316
  • 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: 20.2
  • XLogP3: 6.8

Experimental Properties

  • Density: 0.986
  • Boiling Point: 364.3°C at 760 mmHg
  • Flash Point: 167.1°C
  • Refractive Index: 1.539

4-benzyl-2,6-ditert-butylphenol Pricemore >>

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