877-65-6

Basic information

• Product Name: 4-TERT-BUTYLBENZYL ALCOHOL
• Synonyms: 4-TERT-BUTYLBENZYL ALCOHOL;RARECHEM AL BD 0269;P-T-BUTYLBENZYL ALCOHOL;(4-tert-Butylphenyl)methanol;4(t-Butyl)benzylalcohol;p-tert-Butylbenzyl alcohol;Butylbenzylalcohol;4-#ntert.-Butylbenzyl alcohol
• CAS NO: 877-65-6
• Molecular Formula: C₁₁H₁₆O
• Molecular Weight: 164.24
• EINECS: 212-894-1
• Product Categories: Benzhydrols, Benzyl & Special Alcohols;Alcohols;C9 to C30;Oxygen Compounds
• Mol File: 877-65-6.mol
• Article Data: 91

Chemical Properties

• Boiling Point: 140 °C20 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 0.928 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0114mmHg at 25°C
• Refractive Index: n20/D 1.517(lit.)
• Storage Temp.: Store below +30°C.
• PKA: 14.51±0.10(Predicted)
• Explosive Limit: 1.1-9.5%(V)
• Water Solubility: Soluble in alcohol and insoluble in water.
• BRN: 1860665
• CAS DataBase Reference: 4-TERT-BUTYLBENZYL ALCOHOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYLBENZYL ALCOHOL(877-65-6)
• EPA Substance Registry System: 4-TERT-BUTYLBENZYL ALCOHOL(877-65-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-24/25
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 877-65-6(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

Uses

4-tert-Butylbenzyl alcohol, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

General Description

4-tert-Butylbenzyl alcohol forms inclusion complex with β-cyclodextrin and crystal structure of complex has been studied. Selective oxidation of 4-tert-butylbenzyl alcohol by hypochlorite and phase transfer catalyst has been investigated in a membrane reactor.

InChI:InChI=1/C11H16O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3

Upstream product

• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 110-88-3 1,3,5-Trioxan 
• 63488-10-8 4-tert-butylmagnesium bromide 
• 98-51-1 4-tert-butyltoluene 
• 104-93-8 p-methylanizole 
• 64-19-7 acetic acid 
• 26537-19-9 methyl 4-tert-butylbenzoate 
• 939-97-9 4-tert-Butylbenzaldehyde 
• 18880-00-7 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene 
• 624286-50-6 (4-tert-butylbenzyloxy)trimethylsilane 
• 39895-55-1 4-(1,1-dimethylethyl)-benzenemethanamine 
• 64022-41-9 4-tert-butyl benzyl vinyl ether 
• 71-36-3 butan-1-ol 
• 67-63-0 isopropyl alcohol 

Downstream Products

• 26537-19-9 methyl 4-tert-butylbenzoate 
• 18880-06-3 p-tert.-Butyl-benzyl-triphenyl-phosphoniumchlorid 
• 84640-37-9 4-(tert-butyl)-benzyl N,N-dimethylcarbamate 
• 128472-98-0 2-(4-tert-Butyl-benzyl)-1,3-diisopropyl-isourea 
• 72390-21-7 1-tert-butoxymethyl-4-tert-butylbenzene 
• 16251-99-3 1-benzyl-4-tert-butylbenzene 
• 38460-98-9 bis(4-methylbenzyl) ether 
• 196861-81-1 (1S,5R,7S)-1,5,7-Trimethyl-2,4-dioxo-3-oxa-bicyclo[3.3.1]nonane-7-carboxylic acid 4-tert-butyl-benzyl ester 
• 67364-88-9 4-tert-butylbenzyl acetate 
• 668462-17-7 2-(4-tert-butyl-benzylsulfanyl)-3-methyl-chromen-4-one 
• 56428-01-4 bis(4-tert-butylbenzyl) ether 
• 728919-99-1 4-tert-butylbenzyl isocyanide 
• 173449-89-3 4-(tert-butyl)-2,6-dinitrobenzaldehyde 
• 942433-35-4 N-(4-tert-butylbenzyl)acetamide 

Relevant articles and documents

N,N-Dimethylformamide-stabilised palladium nanoparticles combined with bathophenanthroline as catalyst for transfer vinylation of alcohols from vinyl ether

We reportN,N-dimethylformamide-stabilised Pd nanoparticle (Pd NP)-catalysed transfer vinylation of alcohols from vinyl ether. Pd NPs combined with bathophenanthroline exhibited high catalytic activity. This reaction proceeded with low catalyst loading and the catalyst remained effective even after many rounds of recycling. The observation of the catalyst using transmission electron microscopy and dynamic light scattering implied no deleterious aggregation of Pd NPs.

Visible Light Induced Reduction and Pinacol Coupling of Aldehydes and Ketones Catalyzed by Core/Shell Quantum Dots

We present an efficient and versatile visible light-driven methodology to transform aryl aldehydes and ketones chemoselectively either to alcohols or to pinacol products with CdSe/CdS core/shell quantum dots as photocatalysts. Thiophenols were used as proton and hydrogen atom donors and as hole traps for the excited quantum dots (QDs) in these reactions. The two products can be switched from one to the other simply by changing the amount of thiophenol in the reaction system. The core/shell QD catalysts are highly efficient with a turn over number (TON) larger than 4 × 104 and 4 × 105 for the reduction to alcohol and pinacol formation, respectively, and are very stable so that they can be recycled for at least 10 times in the reactions without significant loss of catalytic activity. The additional advantages of this method include good functional group tolerance, mild reaction conditions, the allowance of selectively reducing aldehydes in the presence of ketones, and easiness for large scale reactions. Reaction mechanisms were studied by quenching experiments and a radical capture experiment, and the reasons for the switchover of the reaction pathways upon the change of reaction conditions are provided.

A method of synthesis of alcohols

The present invention belongs to the field of organic synthesis technology, specifically a synthesis method of an alcohol; the present invention is under the catalytic action of tert-butanol lithium, with ester compounds and pinacol borane as raw materials, tetrahydrofuran as a solvent, reacted at 100 ° C for 24h, followed by adding 2mol / LNaOH / MeOH solution, stirred at room temperature overnight to obtain alcohol compounds; the raw materials of the present invention are of extensive sources or easy to prepare, the reaction conditions are relatively mild and do not require a large number of / cumbersome additives, in addition to the tert-butanol lithium catalyst is simple, And the prepared alcohol compounds are of high quality and high separation yield.