3056-64-2

Basic information

• Product Name: ACETIC ACID 4-TERT-BUTYLPHENYL ESTER
• Synonyms: 4-TERT-BUTYLPHENOL ACETATE;4-TERT-BUTYLPHENYL ACETATE;ACETIC ACID 4-TERT-BUTYLPHENYL ESTER;4-(1,1-dimethylethyl)-phenoacetate;aceticacidbutylphenylester;Phenol,4-(1,1-dimethylethyl)-,acetate;p-tert-butylphenyl acetate;4-(1,1-Dimethylethyl)phenol acetate
• CAS NO: 3056-64-2
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• EINECS: 221-288-6
• Product Categories: Acetics acid and esters
• Mol File: 3056-64-2.mol
• Article Data: 28

Chemical Properties

• Boiling Point: 245 °C
• Flash Point: 96.9°C
• Appearance: /
• Density: 1.00
• Refractive Index: 1.4950-1.4980
• CAS DataBase Reference: ACETIC ACID 4-TERT-BUTYLPHENYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: ACETIC ACID 4-TERT-BUTYLPHENYL ESTER(3056-64-2)
• EPA Substance Registry System: ACETIC ACID 4-TERT-BUTYLPHENYL ESTER(3056-64-2)

Safety Data

• Hazardous Substances Data: 3056-64-2(Hazardous Substances Data)

Usage

General Description

ACETIC ACID 4-TERT-BUTYLPHENYL ESTER is a chemical compound with the molecular formula C12H16O2. It is an ester formed by the reaction of acetic acid and 4-tert-butylphenol. ACETIC ACID 4-TERT-BUTYLPHENYL ESTER is commonly used as a fragrance ingredient, especially in perfumes and personal care products. It has a sweet, floral, and fruity odor and is often used to add a fruity note to various scents. Additionally, it is utilized as a flavoring agent in the food industry. However, it is important to handle this chemical with caution, as it may cause skin and eye irritation, and should be kept in a cool, dry, and well-ventilated area when stored.

Upstream product

• 98-54-4 para-tert-butylphenol 
• 108-24-7 acetic anhydride 
• 75-36-5 acetyl chloride 
• 13031-43-1 4-acetyloxyacetophenone 
• 75-24-1 trimethylaluminum 
• 943-27-1 4'-t-butylacetophenone 
• 75-97-8 3,3-dimethyl-butan-2-one 
• 253185-03-4 tert-butylbenzene 
• 33035-41-5 2-(diacetoxyiodo)mesitylene 
• 3240-34-4 [bis(acetoxy)iodo]benzene 
• 18412-68-5 (4-tert-butylphenyl)trimethylsilane 
• 64-19-7 acetic acid 
• 108-05-4 vinyl acetate 
• 96-76-4 2,4-di-tert-Butylphenol 

Downstream Products

• 57373-81-6 2-hydroxy-5-t-butyl-acetophenone 
• 98-54-4 para-tert-butylphenol 
• 17874-32-7 4-methyl-6-tert-butylcoumarin 
• 288399-61-1 6-tert-butyl-4-oxo-4H-chromene-3-carbaldehyde 
• 100245-06-5 1-(5-tert-butyl-2-hydroxy-3-nitrophenyl)ethanone 

Relevant articles and documents

Real time observation of the Photo-fries rearrangement

Two-color femtosecond pump probe spectroscopy was used to investigate the photo-Fries rearrangement of 4-tert-butylphenyl acetate (BPA) dissolved in cyclohexane. Broadband measurements were performed in the spectral range between 450 and 700 nm to confirm the wavelength dependence of the various signal contributions. The recombination of the radicals was found to occur within 13 ps. The time resolved absorption measurements on BPA provide strong evidence that after photoexcitation the S1 state is depopulated with a rate of 0.5 ps-1 by a mechanism which leads to the cleavage of the O-C bond and the generation of a radical pair.

Photo-Fries rearrangement in flow under aqueous micellar conditions

A flow edition of photo-Fries rearrangement for the synthesis of 2-acylphenols in an aqueous micellar medium has been described. We take advantage of a narrow channel reactor and micelle-induced confinement effect to refine both the efficiency and selectivity of the parent photoreaction. This journal is

Synthesis of Ti-Al binary oxides and their catalytic application for C-H halogenation of phenols, aldehydes and ketones

Traditional C–H halogenation of organic compounds often requires corrosive agent or harsh condition, and current researches are focused on the use of noble metals as catalyst. In order to give an efficient, benign, activity-adjustable and cost-effective system for halogenation, a series of Ti-Al mixed oxides are prepared as catalyst through sol-gel in this work. Characterizations reveal all catalysts contain more aluminum than titanium, but preparative conditions affect their composition and crystallinity. Monitoring of particle size, zeta potential and UV–vis of preparative solution reveals that formation of catalyst colloids undergoes chemical reaction, affecting catalyst morphology. In halogenation, all catalysts show moderate to high activities, copper chloride proves to be an effective halogen source rather than sodium chloride. The chlorination and bromination are better than iodization, phenol and ketone appear to be more appropriate substrates than aldehyde. Additionally, oxide backbone of catalyst is more durable than its organic components during recycling. This study may provide new catalytic materials for progress of C–H activation.