6-tert-Butyl-m-cresol

Base Information

• Chemical Name: 6-tert-Butyl-m-cresol
• CAS No.: 88-60-8
• Molecular Formula: C11H16O
• Molecular Weight: 164.247
• Hs Code.: 29071990
• European Community (EC) Number: 201-842-3
• NSC Number: 48467
• UNII: UXV32MJ2CA
• DSSTox Substance ID: DTXSID2026529
• Nikkaji Number: J101.497H
• Wikidata: Q27074017
• Pharos Ligand ID: ALF8FU3TYJHA
• Metabolomics Workbench ID: 125236
• ChEMBL ID: CHEMBL1880057
• Mol file: 88-60-8.mol

Synonyms:6-tert-Butyl-m-cresol;88-60-8;2-tert-Butyl-5-methylphenol;6-tert-Butyl-3-methylphenol;2-(tert-butyl)-5-methylphenol;5-Methyl-2-tert-butylphenol;Phenol, 2-(1,1-dimethylethyl)-5-methyl-;m-Cresol, 6-tert-butyl-;3-Methyl-6-tert-butylphenol;2-tert-butyl-5-methyl-phenol;6-t-butyl-m-cresol;HSDB 5260;Phenol, 2-tert-butyl-5-methyl-;Benzene, 1-tert-butyl-2-hydroxy-4-methyl-;EINECS 201-842-3;UNII-UXV32MJ2CA;NSC 48467;UXV32MJ2CA;2-t-Butyl-5-methylphenol;BRN 1908225;DTXSID2026529;2-(1,1-DIMETHYLETHYL)-5-METHYLPHENOL;MFCD00002308;NSC-48467;5-Methyl-2-(1,1-dimethylethyl)-phenol;EC 201-842-3;4-06-00-03400 (Beilstein Handbook Reference);DTXCID806529;CAS-88-60-8;6-tert-Butyl-3-cresol;NSC48467;6-t-butyl-3-cresol;3-methyl-6-t-butylphenol;D0F0BB;SCHEMBL180815;GTPL4111;CHEMBL1880057;Phenol,1-dimethylethyl)-5-methyl-;Tox21_201418;Tox21_300486;2-tert-Butyl-5-methylphenol, 95%;AKOS000120129;NCGC00164216-01;NCGC00164216-02;NCGC00164216-03;NCGC00254288-01;NCGC00258969-01;BS-17803;LS-104171;B0718;CS-0037719;FT-0621317;EN300-21368;W18665;A842727;W-100399;2-(1,1-DIMETHYLETHYL)-5-METHYLPHENOL [HSDB];Q27074017;TEOC-ONP?4-Nitrophenyl 2-(Trimethylsilyl)Ethyl Carbonate

Chemical Property of 6-tert-Butyl-m-cresol

Chemical Property:

• Appearance/Colour: clear colorless viscous liquid
• Vapor Pressure: 0.0626mmHg at 25°C
• Melting Point: 20 °C
• Refractive Index: n20/D 1.519(lit.)
• Boiling Point: 224 °C at 760 mmHg
• PKA: 11.45±0.10(Predicted)
• Flash Point: 105.6 °C
• PSA: 20.23000
• Density: 0.961 g/cm³
• LogP: 2.99810
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Insoluble in water
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99%, ^*data from raw suppliers

6-tert-Butyl-m-cresol >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,C
• Hazard Codes: Xn,C
• Statements: 22-36/37/38-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC1=CC(=C(C=C1)C(C)(C)C)O

Technology Process of 6-tert-Butyl-m-cresol

There total 24 articles about 6-tert-Butyl-m-cresol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 74.0%

3-methyl-phenol (108-39-4) + tert-butyl alcohol (75-65-0) → 2-tert-Butyl-5-methylphenol (88-60-8) + 4,6-di-tert-butyl-m-cresol (497-39-2)

Guidance literature:

With carbon tetrabromide; at 175 ℃; for 6h; Sealed tube;

DOI:10.1134/S1070363219080024

Reference yield: 71.0%

2-tert-butyl-5-methylanisole (88-40-4) → 2-tert-Butyl-5-methylphenol (88-60-8)

Guidance literature:

With boron triiodide-N,N-diethylaniline; In benzene; for 3h; Ambient temperature;

DOI:10.1016/S0040-4039(00)97220-4

Reference yield: 60.0%

3-methyl-phenol (108-39-4) + tert-butyl alcohol (75-65-0) → 2-tert-Butyl-5-methylphenol (88-60-8)

Guidance literature:

tert-butyl alcohol; With sulfuric acid; urea; at 10 - 25 ℃;

3-methyl-phenol; at 0 - 20 ℃;

DOI:10.1021/jf8036193

upstream raw materials:

2,4,4-trimethyl-1-pentene

3-methyl-phenol

2-methyl-propan-1-ol

isobutene

Downstream raw materials:

bis-(5-tert-butyl-4-hydroxy-2-methyl-phenyl)-[2]thienyl-methane

bis(3-tertbutyl-4-hydroxy-6-methylphenyl)methane

3-(5,5'-di-tert-butyl-4,4'-dihydroxy-2,2'-dimethyl-benzhydryl)-pentane

2,2'-di-tert-butyl-5,5'-dimethyl-4,4'-heptylidene-di-phenol

Refernces

• 1、 Zhang, Kun,Yang, Tai-Qun,Shan, Bing-Qian,Liu, Peng-Cheng,Peng, Bo,Xue, Qing-Song,Yuan, En-Hui,Wu, Peng,Albela, Belén,Bonneviot, Laurent. "Dendritic and Core–Shell–Corona Mesoporous Sister Nanospheres from Polymer–Surfactant–Silica Self-Entanglement". . p. 478 - 486. Retrieved 2017/12/13.
• 2、 Lee, Young Eun,Cao, Trung,Torruellas, Carilyn,Kozlowski, Marisa C.. "Selective oxidative homo-and cross-coupling of phenols with aerobic catalysts". . p. 6782 - 6785. Retrieved 2014/06/09.