2-(4-tert-Butylphenyl)ethanol

Base Information

• Chemical Name: 2-(4-tert-Butylphenyl)ethanol
• CAS No.: 5406-86-0
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 2906299090
• European Community (EC) Number: 410-020-5,680-290-9
• NSC Number: 5319
• UNII: AES74I7NRU
• DSSTox Substance ID: DTXSID40202384
• Nikkaji Number: J50.005D
• Wikidata: Q72504045
• Mol file: 5406-86-0.mol

Synonyms:2-(4-tert-Butylphenyl)ethanol;5406-86-0;2-(4-(tert-Butyl)phenyl)ethanol;4-Tert-Butylphenethyl Alcohol;p-tert-Butylphenethyl alcohol;Phenethyl alcohol, p-(tert-butyl)-;P-tert-Butyl Phenethyl Alcohol;Benzeneethanol, 4-(1,1-dimethylethyl)-;Phenethyl alcohol, p-tert-butyl-;NSC 5319;AES74I7NRU;BRN 2246595;NSC-5319;MFCD00236023;EC 410-020-5;4-06-00-03434 (Beilstein Handbook Reference);4-(tert-Butyl)phenethyl Alcohol;2-(4-TERT-BUTYLPHENYL)ETHAN-1-OL;UNII-AES74I7NRU;2-(p-t-butylphenyl) ethanol;SCHEMBL697688;4-TERT-BUTYLPHENETHANOL;2-[4-(t-butyl)phenyl]ethanol;2-(4-tert-butylphenyl) ethanol;DTXSID40202384;NSC5319;WLN: Q2R DX1&1&1;AC-765;CK1127;STK087129;AKOS005393649;CS-W021395;DS-4891;SY106519;4-tert-Butylphenethyl alcohol, AldrichCPR;LS-103056;4-(1,1-DIMETHYLETHYL)BENZENEETHANOL;FT-0608693;2-[4-(1,1-dimethylethyl)phenyl]ethyl alcohol;EN300-1635292

Chemical Property of 2-(4-tert-Butylphenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Melting Point: 32-35 °C
• Refractive Index: 1.5209
• Boiling Point: 141-143 °C 15mm
• PKA: 14.93±0.10(Predicted)
• Flash Point: 109 °C
• PSA: 20.23000
• Density: 0,975 g/cm³
• LogP: 2.51890
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

99.9% ^*data from raw suppliers

2-(4-(tert-Butyl)phenyl)ethanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 41-48/22-51/53-62-52
• Safety Statements: 26-36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CCO
• Uses: 2-(4-tert-Butylphenyl)ethanol, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as an intermediate in organic synthesis.

Technology Process of 2-(4-tert-Butylphenyl)ethanol

There total 25 articles about 2-(4-tert-Butylphenyl)ethanol 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: 95.0%

methyl 2-(4-tert-butylphenyl)acetate (3549-23-3) → 2-(4-tert-butylphenyl)ethanol (5406-86-0)

Guidance literature:

With C₁₅H₂₉MnNO₃P₂⁽¹⁺⁾*Br^(1-); potassium tert-butylate; hydrogen; In 1,4-dioxane; at 110 ℃; for 24h; under 22502.3 Torr; Inert atmosphere; Autoclave;

DOI:10.1002/anie.201607233

Reference yield: 84.0%

4-tert-butyl-1-(chloromethoxymethyl)benzene → 2-(4-tert-butylphenyl)ethanol (5406-86-0)

Guidance literature:

With 4,4'-di-tert-butylbiphenyl; lithium; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1016/j.tet.2006.08.028

Reference yield: 83.0%

4-tert-butylphenylethylene oxide (2783-28-0) → 2-(4-tert-butylphenyl)ethanol (5406-86-0)

Guidance literature:

With ammonia borane; C₂₈H₂₈Cl₂CoNP₂; erbium(III) triflate; In tetrahydrofuran; at 45 ℃; for 8h;

DOI:10.1021/acscatal.0c03294

upstream raw materials:

oxirane

4-tert-butylmagnesium bromide

p-tert-butylbenzyl alcohol

ethyl 2-(4-(tert-butyl)phenyl)acetate

Downstream raw materials:

1-(2-bromoethyl)-4-(tert-butyl)benzene

2-(4-(tert-butyl)phenyl)acetaldehyde

1-[4-(tert-butyl)phenyl]ethane-1,2-diol