2,6-Di-tert-butyl-4-ethylphenol

Base Information

• Chemical Name: 2,6-Di-tert-butyl-4-ethylphenol
• CAS No.: 4130-42-1
• Molecular Formula: C16H26O
• Molecular Weight: 234.382
• Hs Code.: 2907199090
• European Community (EC) Number: 223-945-2
• NSC Number: 14453
• UNII: SV7OZ6J97M
• DSSTox Substance ID: DTXSID0029262
• Nikkaji Number: J104.299H
• Wikidata: Q26841169
• Metabolomics Workbench ID: 48880
• ChEMBL ID: CHEMBL225620
• Mol file: 4130-42-1.mol

Synonyms:2,6-Di-tert-butyl-4-ethylphenol;4130-42-1;Ionol 2;2,6-ditert-butyl-4-ethylphenol;4-Ethyl-2,6-di-tert-butylphenol;Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl-;Phenol, 2,6-di-tert-butyl-4-ethyl-;Yoshinox 250;Sandant 425;Nocrac M 17;2,6-Bis(1,1-dimethylethyl)-4-ethylphenol;1-Hydroxy-4-ethyl-2,6-di-tert-butylbenzene;NSC 14453;2,6-di-t-Butyl-4-ethylphenol;4-ethyl-2,6-ditert-butyl-phenol;EINECS 223-945-2;UNII-SV7OZ6J97M;SV7OZ6J97M;CCRIS 8263;DTXSID0029262;2,6-di-tert-butyl-para-ethylphenol;NSC-14453;DTXCID909262;CAS-4130-42-1;2,6-ditert-butyl-4-ethyl-phenol;Nocrac M17;NOCLIZER M 17;SCHEMBL39434;2,6-ditert.butyl4-ethylphenol;CHEMBL225620;SCHEMBL10865531;2,6-di-tertbutyl-4-ethylphenol;BVUXDWXKPROUDO-UHFFFAOYSA-;CHEBI:177477;2,1-dimethylethyl)-4-ethylphenol;2,6-Di-tert-butyl-4 ethylphenol;Phenol,6-di-tert-butyl-4-ethyl-;2,6-di-tert-butyl-4-ethyl phenol;2,6-di-tert-butyl-4-ethyl-phenol;NSC14453;Tox21_201584;Tox21_303397;MFCD00017366;AKOS015837918;NCGC00249077-01;NCGC00257348-01;NCGC00259133-01;2,6-Di-tert-butyl-4-ethylphenol, 99%;AS-14442;LS-179638;Phenol,6-bis(1,1-dimethylethyl)-4-ethyl-;CS-0152544;D1667;FT-0610724;2,6-Bis(1,1-dimethylethyl)-4-ethyl-Phenol;Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI);1-Hydroxy-4-ethyl-2, 6-di-tert-butylbenzene;Bis(1,1-dimethylethyl)-4-ethylphenol, 2,6-;E76076;Phenol, 2,6-bis-(1.1-dimethylethyl)-4-ethyl;2,6-Bis(1,1-dimethylethyl)-4-ethylphenol, 9CI;A825511;W-109954;Q26841169

Chemical Property of 2,6-Di-tert-butyl-4-ethylphenol

Chemical Property:

• Appearance/Colour: light yellow liquid
• Vapor Pressure: 0.00375mmHg at 25°C
• Melting Point: >44 °C
• Refractive Index: 1.497
• Boiling Point: 272 °C at 760 mmHg
• PKA: 12.83±0.40(Predicted)
• Flash Point: 124.1 °C
• PSA: 20.23000
• Density: 0.922 g/cm³
• LogP: 4.54960
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 234.198365449
• Heavy Atom Count: 17
• Complexity: 219

Purity/Quality:

98% ^*data from raw suppliers

2,?6-?Di-?tert-?butyl-?4-?ethylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
• Uses: 2,?6-?Di-?tert-?butyl-?4-?ethylphenol is used as a catalyst for the synthesis of aromatic carboxamides.

Technology Process of 2,6-Di-tert-butyl-4-ethylphenol

There total 26 articles about 2,6-Di-tert-butyl-4-ethylphenol 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: 76.0%

ethanol (64-17-5) + 2,6-di-tert-butylphenol (128-39-2) → 2,6-di-tert-butyl-4-ethylphenol (4130-42-1)

Guidance literature:

With potassium hydroxide; Pd/C; zinc(II) oxide; at 200 ℃; for 15h;

DOI:10.1134/S1070363208090144

Reference yield: 70.0%

2,6-Di-tert-butyl-4-(1-hydroxyethyl)phenol (14681-20-0) → 2,6-di-tert-butyl-4-ethylphenol (4130-42-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; chlorobenzene; for 1h; Heating;

DOI:10.1016/S0040-4039(98)01803-6

Reference yield: 28.0%

5,7-di-t-butylspiro[2.5]octa-4,7-dien-6-one (4309-85-7) → 2,6-di-tert-butyl-4-ethylphenol (4130-42-1) + 1,4-bis-(3,5-di-tert-butyl-4-oxyphenyl)butane (42154-03-0)

Guidance literature:

In N,N-dimethyl-formamide; for 0.616667h; electrolysis, n-Bu₄NClO₄;

DOI:10.1021/ja972795o

upstream raw materials:

2,6-di-tert-butylphenol

acetaldehyde

4-Ethylphenol

isobutene

Downstream raw materials:

2,6-Di-tert-butyl-4-aethyl-phenetol

2,6-Di-tert.-butyl-4,4-diethyl-cyclohexadien-(2,5)-on-⁽¹⁾

Ethaneperoxoic acid 3,5-di-tert-butyl-1-ethyl-4-oxo-cyclohexa-2,5-dienyl ester

2,6-Di-tert-butyl-1,4-benzoquinone

Refernces

• 1、 Yan, Fei,Sang, Yushuai,Bai, Yunfei,Wu, Kai,Cui, Kai,Wen, Zhe,Mai, Fuhang,Ma, Zewei,Yu, Linhao,Chen, Hong,Li, Yongdan. "Guaiacol demethoxylation catalyzed by Re2O7 in ethanol". . p. 231 - 237. Retrieved 2019/08/12.
• 2、 -. "Method for preparing hydrocarbyl phenol by catalytic conversion of phenolic compound in presence of molybdenum-based catalyst". Paragraph 0042-0043; 0070. . Retrieved 2018/04/02.