Cas no 13037-79-1 (Phenol,2-(1,1-dimethylethyl)-3-methyl-)

Phenol,2-(1,1-dimethylethyl)-3-methyl- structure
13037-79-1 structure
Product Name:Phenol,2-(1,1-dimethylethyl)-3-methyl-
CAS No:13037-79-1
MF:C11H16O
MW:164.244143486023
CID:192321
PubChem ID:83071
Update Time:2025-04-19

Phenol,2-(1,1-dimethylethyl)-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • Phenol,2-(1,1-dimethylethyl)-3-methyl-
    • 2-tert-butyl-3-methylphenol
    • m-Cresol,2-tert-butyl- (7CI,8CI)
    • o-tert-Butyl-m-cresol
    • Phenol, 2-(1,1-dimethylethyl)-3-methyl-
    • 2-(1,1-DIMETHYLETHYL)-3-METHYLPHENOL
    • SDJUKATYFRSDAS-UHFFFAOYSA-N
    • 2-tert-Butyl-m-cresol
    • MB23479
    • 2-tert-Butyl-3-methylphenol #
    • SCHEMBL112587
    • DTXSID7065336
    • S2NJ28RZ44
    • m-Cresol, 2-tert-butyl-
    • mono-t-butyl-m-cresol
    • NS00044728
    • UNII-S2NJ28RZ44
    • 13037-79-1
    • Inchi: 1S/C11H16O/c1-8-6-5-7-9(12)10(8)11(2,3)4/h5-7,12H,1-4H3
    • InChI Key: SDJUKATYFRSDAS-UHFFFAOYSA-N
    • SMILES: OC1=CC=CC(C)=C1C(C)(C)C

Computed Properties

  • Exact Mass: 164.12018
  • Monoisotopic Mass: 164.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 146
  • 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: 3.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

Phenol,2-(1,1-dimethylethyl)-3-methyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium ,  Chromium chloride (CrCl3) Solvents: Methanol ;  4 h, 2 MPa, 280 °C
Reference
Insight into the solvent, temperature and time effects on the hydrogenolysis of hydrolyzed lignin
Shu, Riyang; Zhang, Qi; Ma, Longlong; Xu, Ying; Chen, Pengru; et al, Bioresource Technology, 2016, 221, 568-575

Production Method 2

Reaction Conditions
1.1 Catalysts: Sodium hydroxide Solvents: Methanol ;  7 h, 220 °C
Reference
Thermochemical lignin depolymerization and conversion to aromatics in subcritical methanol: effects of catalytic conditions
Singh, Sunit Kumar; et al, New Journal of Chemistry, 2016, 40(4), 3677-3685

Phenol,2-(1,1-dimethylethyl)-3-methyl- Raw materials

Phenol,2-(1,1-dimethylethyl)-3-methyl- Preparation Products

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