4427-56-9

Basic information

• Product Name: 4-METHYL-2-ISOPROPYLPHENOL
• Synonyms: 4-METHYL-2-ISOPROPYLPHENOL;2-isopropyl-4-methyl-pheno;2-Isopropyl-4-methylphenol;2-isopropyl-4-methyl-phenol;2-isopropyl-p-cresol;4-methyl-2-(1-methylethyl)-pheno;4-Methyl-2-(1-methylethyl)phenol;4-methyl-2-(1-methylethyl)-Phenol
• CAS NO: 4427-56-9
• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.22
• EINECS: 224-611-9
• Mol File: 4427-56-9.mol
• Article Data: 8

Chemical Properties

• Melting Point: 35°C
• Boiling Point: 228°C
• Flash Point: 98.1 °C
• Appearance: /
• Density: 0.9910
• Vapor Pressure: 0.0486mmHg at 25°C
• Refractive Index: 1.5275
• PKA: 10.78±0.18(Predicted)
• CAS DataBase Reference: 4-METHYL-2-ISOPROPYLPHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYL-2-ISOPROPYLPHENOL(4427-56-9)
• EPA Substance Registry System: 4-METHYL-2-ISOPROPYLPHENOL(4427-56-9)

Safety Data

• Hazardous Substances Data: 4427-56-9(Hazardous Substances Data)

Usage

General Description

4-Methyl-2-isopropylphenol, also known as Thymol, is an organic compound with the chemical formula C10H14O. It's derived from Thyme oil and is known for its antiseptic properties. Thymol is a white crystalline substance that's soluble in alcohol but less soluble in water. It's widely used in mouthwashes, toothpastes, and throat sprays for its antibacterial effects. This chemical also possesses antifungal, anti-inflammatory, and antioxidant properties. In addition, it's used in food flavorings and fragrances, and as a biocide in products like pesticides and disinfectants. Moreover, it's used in traditional medicine, especially in the Middle East, as antiseptic, as it has a strong smell and taste that can suppress other flavors.

InChI:InChI=1/C10H14O/c1-7(2)9-6-8(3)4-5-10(9)11/h4-7,11H,1-3H3

Upstream product

• 106-44-5 p-cresol 
• 187737-37-7 propene 
• 75-29-6 isopropyl chloride 
• 108-20-3 di-isopropyl ether 
• 22921-10-4 p-cresyl isopropyl ether 
• 65490-14-4 2-isopropenyl-4-methylphenol 
• 31574-44-4 1-methoxy-4-methyl-2-(1-methylethyl)-benzene 
• 64298-10-8 1-methoxy-4-methyl-2-(prop-1-en-2-yl)benzene 
• 126274-94-0 4-hydroxy-3-(1-methylethyl)benzaldehyde 
• 2944-47-0 o-isopropylanisole 
• 68-12-2 N,N-dimethyl-formamide 
• 7664-93-9 sulfuric acid 
• 64-19-7 acetic acid 
• 78719-73-0 2-Hydroxy-α,α,5-trimethylbenzyl alcohol 

Downstream Products

• 861573-45-7 2-bromo-4-methyl-6-(α,β,β,β'-tetrabromo-isopropyl)-phenol 
• 105401-90-9 (2-isopropyl-4-methyl-phenoxy)-acetic acid 
• 32135-19-6 Diethyl-(2-isopropyl-4-methyl-phenoxy)-silane 
• 129375-05-9 4-methyl-2-(1-methylethyl)phenyl propanoate 
• 95295-93-5 5-Hydroxy-4-isopropyl-2-methyl-benzonitril 
• 37460-74-5 4-bromo-m-cumene 
• 320716-28-7 [2-isopropyl-4-methylphenyl](furan-3-yl)methanol 
• 129375-04-8 1-<2-hydroxy-5-methyl-3-(1-methylethyl)phenyl>-1-propanone 
• 861576-65-0 2-bromo-6-(2,2-dibromo-1-bromomethyl-vinyl)-4-methyl-phenol 
• 6905-37-9 2-isopropyl-4-methylphenyl acetate 

Relevant articles and documents

Enantioselective Kinetic Resolution/Desymmetrization of Para-Quinols: A Case Study in Boronic-Acid-Directed Phosphoric Acid Catalysis

A chiral phosphoric acid-catalyzed kinetic resolution and desymmetrization of para-quinols operating via oxa-Michael addition was developed and subsequently subjected to mechanistic study. Good to excellent s-factors/enantioselectivities were obtained over a broad range of substrates. Kinetic studies were performed, and DFT studies favor a hydrogen bonding activation mode. The mechanistic studies provide insights to previously reported chiral anion phase transfer reactions involving chiral phosphate catalysts in combination with boronic acids. (Figure presented.).

Zirconia-modified superacid UDCaT-5: An efficient and versatile catalyst for alkylation reactions under solvent-free conditions

UDCaT-5, a modified version of zirconia, efficiently catalyzes alkylation of phenols with alcohols under environmentally safe, heterogeneous reaction conditions with high selectivity and in excellent yields. The high content present in UDCaT-5 with preservation of tetragonal phase of zirconia was responsible for the superactivity. Several phenolic compounds carrying either electron-sulfer releasing or electron-withdrawing substituents in the ortho, meta, and para positions afforded high yields of the products. Copyright Taylor & Francis Group, LLC.

Lewis Acids Catalysed Fries Rearrangement of Isopropylcresol Esters

In the course of the Fries rearrangement, aluminium chloride frequently induces migration or elimination of alkyl groups.The results obtained with titanium tetrachloride for the synthesis of vicinal o-hydroxyketones are compared with those obtained with aluminium chloride for some aliphatic and aromatic esters of isopropylcresols.In order to understand the migration and elimination processes occurring, the stabilities of the o-hydroxyketones are studied in the presence of aluminium chloride at different temperatures.Furthermore, all-vicinal o-hydroxyketones were prepared by the Fries rearrangement of 6-tert-butyl-p-thymol with titanium tetrachloride.