Cas no 307000-42-6 (Phenol,4-[2-(1,1-dimethylethyl)-5-methylphenoxy]-)

Phenol,4-[2-(1,1-dimethylethyl)-5-methylphenoxy]- structure
307000-42-6 structure
Product Name:Phenol,4-[2-(1,1-dimethylethyl)-5-methylphenoxy]-
CAS No:307000-42-6
MF:C17H20O2
MW:256.339505195618
CID:300324
PubChem ID:9859903
Update Time:2025-04-19

Phenol,4-[2-(1,1-dimethylethyl)-5-methylphenoxy]- Chemical and Physical Properties

Names and Identifiers

    • Phenol,4-[2-(1,1-dimethylethyl)-5-methylphenoxy]-
    • 4-(2-tert-Butyl-5-methylphenoxy)phenol
    • 4-[2-(1,1-dimethylethyl)-5-methylphenoxy]Phenol
    • 4-tert-butyl-3-methyl-2-phenoxyphenol
    • T-BUTYL METHYLPHENOXY PHENOL
    • t-Butyl methylphenoxy phenol [INCI]
    • 4-(2-t-Butyl-5-methylphenoxy)phenol
    • TERT-BUTYL METHYLPHENOXY PHENOL
    • 4-(2-tert.-butyl-5-methylphenoxy)phenol
    • 307000-42-6
    • Phenol, 4-(2-(1,1-dimethylethyl)-5-methylphenoxy)-
    • UNII-N5M3Q1B890
    • N5M3Q1B890
    • SCHEMBL3151750
    • CKVHXAPZCATURN-UHFFFAOYSA-N
    • Q27284579
    • Inchi: 1S/C17H20O2/c1-12-5-10-15(17(2,3)4)16(11-12)19-14-8-6-13(18)7-9-14/h5-11,18H,1-4H3
    • InChI Key: CKVHXAPZCATURN-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)O)C1C=C(C)C=CC=1C(C)(C)C

Computed Properties

  • Exact Mass: 256.1464
  • Monoisotopic Mass: 256.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 276
  • 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: 29.5A^2
  • XLogP3: 4.7

Experimental Properties

  • Density: 1.062
  • Boiling Point: 359.519 °C at 760 mmHg
  • Flash Point: 145.878 °C
  • PSA: 29.46
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