5451-67-2

Basic information

• Product Name: 5-methyl-2-(propan-2-yl)phenyl 2-methylpropanoate
• Synonyms: propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester; Thymol isobutyrate
• CAS NO: 5451-67-2
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.3074
• Mol File: 5451-67-2.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 277.2°C at 760 mmHg
• Flash Point: 102.3°C
• Density: 0.971g/cm³
• Vapor Pressure: 0.00459mmHg at 25°C
• Refractive Index: 1.492
• CAS DataBase Reference: 5-methyl-2-(propan-2-yl)phenyl 2-methylpropanoate(CAS DataBase Reference)
• NIST Chemistry Reference: 5-methyl-2-(propan-2-yl)phenyl 2-methylpropanoate(5451-67-2)
• EPA Substance Registry System: 5-methyl-2-(propan-2-yl)phenyl 2-methylpropanoate(5451-67-2)

Safety Data

• Hazardous Substances Data: 5451-67-2(Hazardous Substances Data)

Usage

General Description

5-methyl-2-(propan-2-yl)phenyl 2-methylpropanoate is a chemical compound with the molecular formula C14H20O2. It is an ester, specifically the 2-methylpropanoate ester of 5-methyl-2-(propan-2-yl)phenol. 5-methyl-2-(propan-2-yl)phenyl 2-methylpropanoate is a colorless liquid with a fruity odor, and it is used as a fragrance ingredient in perfumes and other personal care products. It is also used as a flavoring agent in food products. Additionally, it has potential industrial applications due to its chemical properties.

Upstream product

• 89-83-8 thymol 
• 79-31-2 isobutyric Acid 
• 79-30-1 isobutyryl chloride 
• 97-72-3 2-Methylpropionic anhydride 

Relevant articles and documents

Hafnium inspired activation of highly hindered anhydrides in the acylation of alcohols and polyols

A novel and highly efficient method for activating highly hindered acid anhydrides towards the acylation of alcohols and carbohydrate-derived polyols has been developed. This new method relies on the capacity of the hafnium triflate catalyst Hf(OTf)2 to activate highly hindered acid anhydrides, and to direct the acylation reaction. This new acylation protocol is mild and proceed at room temperature with low catalyst loading. The method is versatile and has been extended to different alcohol substrates with different steric encumbrance as well as carbohydrate-derived polyols to afford the corresponding ester products in good to excellent yields.

Synthesis and in vitro antibacterial activity of thymol and carvacrol derivatives

Fourteen esters of thymol and carvacrol were synthesized and characterized on the basis of spectral data. The NMR data for some of these are being given for the first time. The antibacterial activity screening of thymol, carvacrol and their esters were carried out against four Gram-positive (Streptococcus mutans MTCC 890, Staphylococcus aureus MTCC 96, Bacillus subtilis MTCC 121, Staphylococcus epidermidis MTCC 435) and one Gram-negative (Escherichia coli MTCC 723) bacteria. The enhancement in activity was noticed in the thymyl ester derivatives 4a-c (against S. mutans, B. subtilis and S. epidermidis) in comparison to thymol, whereas the carvacrol derivatives were found to be much less active than carvacrol.

Chemical composition of Inula cuspidata C.B. Clarke

Thymyl isobutyrate, thymol, thymyl isovalerate, 8α-hydroxy presilphiperfolene and intermedeol have been isolated from steam volatile extract of Inula cuspidata and identified from their spectral data, synthesis and chemical modification of major constituents. Sharp qualitative and quantitative variations among the constituents of leaf, flower and roots of Inula cuspidata are noticed.