4167-74-2

Basic information

• Product Name: 4-ISOBUTYLPHENOL
• Synonyms: 4-ISOBUTYLPHENOL;4-(2-methylpropyl)phenol
• CAS NO: 4167-74-2
• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.2176
• Mol File: 4167-74-2.mol
• Article Data: 14

Chemical Properties

• Melting Point: 51°C
• Boiling Point: 237°C
• Flash Point: 114.2 °C
• Appearance: /
• Density: 0.9778
• Vapor Pressure: 0.0264mmHg at 25°C
• Refractive Index: 1.5319
• PKA: 9.84±0.13(Predicted)
• CAS DataBase Reference: 4-ISOBUTYLPHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ISOBUTYLPHENOL(4167-74-2)
• EPA Substance Registry System: 4-ISOBUTYLPHENOL(4167-74-2)

Safety Data

• Hazardous Substances Data: 4167-74-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H14O/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6,8,11H,7H2,1-2H3

Upstream product

• 63942-77-8 B-iso-butyl-9-borabicyclo<3.3.1>nonane 
• 106-41-2 4-bromo-phenol 
• 877-99-6 1-methoxy-4-(2-methyl-1-propenyl)benzene 
• 5331-28-2 1-tert-butyl-4-phenoxybenzene 
• 98-54-4 para-tert-butylphenol 
• 15687-27-1 ibuprofen 
• 17878-44-3 (4-bromophenoxy)trimethylsilane 
• 677-22-5 tert-butylmagnesium chloride 
• 108-95-2 phenol 
• 20279-29-2 phenyl isobutyrate 
• 675855-49-9 1-ethoxymethoxy-4-methoxymethylbenzene 
• 123-11-5 4-methoxy-benzaldehyde 
• 18228-46-1 1-(p-methoxyphenyl)-2-methylpropan-1-ol 
• 91967-52-1 1-methoxy-4-(2-methylpropyl)benzene 

Downstream Products

• 42061-72-3 4-isobutylcyclohexanone 
• 1401223-61-7 tert-butyl 2-(4-isobutylphenoxy)acetate 
• 1401223-65-1 2-(4-isobutylphenoxy)acetyl chloride 
• 105401-46-5 2-(4-isobutylphenoxy)acetic acid 
• 1401223-29-7 N-isopropyl-2-(4-isobutylphenoxy)-N-((3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide 
• 75551-91-6 2-Aminomethyl-6-chloro-4-isobutyl-phenol; hydrochloride 
• 75551-92-7 2-Aminomethyl-6-iodo-4-isobutyl-phenol; hydrochloride 
• 75552-26-0 2-(aminomethyl)-4-(2-methylpropyl)phenol 
• 34352-86-8 1-isobutyl-4-(prop-1-en-2-yl)benzene 
• 15687-27-1 ibuprofen 
• 36039-36-8 2-(4-isobutylphenyl)propan-1-ol 
• 148255-66-7 phenyl 3-(4-isobutylphenyoxymethyl)benzoate 
• 148255-38-3 3-(4-isobutylphenyoxymethyl)benzoic acid 
• 656235-21-1 2-imino-5-(4-{3-[4-(4-isobutyl-phenoxy)-2-propyl-phenoxy]-propoxy}-phenyl)-thiazolidin-4-one 

Relevant articles and documents

Thermal Stability of 4-tert-Butyl Diphenyl Oxide

Abstract: In the temperature range of 703–763 K, the thermal stability of 4-tert-butyl diphenyl oxide (4?TBDPO) has been studied, the components of the thermolysis reaction mass have been identified, a kinetic model of the process has been proposed, and the rate constants and parameters of the Arrhenius equation for all reactions under consideration have been calculated. The predominant role of isomerization transformations of 4-TBDPO has been found. A mechanism for the radical isomerization of the tert-butyl substituent has been proposed.

Enantiospecific sp2–sp3 Coupling of ortho- and para-Phenols with Secondary and Tertiary Boronic Esters

The coupling of ortho- and para-phenols with secondary and tertiary boronic esters has been explored. In the case of para-substituted phenols, after reaction of a dilithio phenolate species with a boronic ester, treatment with Ph3BiF2 or Martin's sulfurane gave the coupled product with complete enantiospecificity. The methodology was applied to the synthesis of the broad spectrum antibacterial natural product (?)-4-(1,5-dimethylhex-4-enyl)-2-methyl phenol. For ortho-substituted phenols, initial incorporation of a benzotriazole on the phenol oxygen atom was required. Subsequent ortho-lithiation and borylation gave the coupled product, again with complete stereospecificity.

Simultaneous identification of Fenton degradation by-products of diclofenac, ibuprofen and ketoprofen in aquatic media by comprehensive two-dimensional gas chromatography coupled with mass spectrometry

Diclofenac, ibuprofen and ketoprofen are anti-inflammatory drugs intensively used both in human and animal treatment. Due to their high stability these compounds are partially removed by wastewater treatment plants and from this reason the development of some alternative treatments such as advanced oxidative processes are necessary. The main problems in the optimization of an advanced oxidative process rise from the difficulties which appear in the identification of degradation by-products necessary for the establishment of degradation pathway. In this paper a developed method for the simultaneous identification of Fenton degradation by-products of the three above mentioned pharmaceuticals is presented. The obtained results show the comprehensive two-dimensional gas chromatography coupled with mass spectrometry as a proper method for the analysis of the complex mixture of compounds resulted from the Fenton degradation process. Moreover, some compounds never mentioned in the scientific literature were identified. (Chemical Equation Presented).