1687-65-6

Basic information

• Product Name: 5-ethyl-o-cresol
• Synonyms: 5-ethyl-o-cresol;5-Ethyl-2-methylphenol
• CAS NO: 1687-65-6
• Molecular Formula: C₉H₁₂O
• Molecular Weight: 136.19098
• EINECS: 216-876-4
• Mol File: 1687-65-6.mol
• Article Data: 6

Chemical Properties

• Melting Point: 15°C
• Boiling Point: 227.7°C
• Flash Point: 99.4 °C
• Appearance: /
• Density: 0.9809 (estimate)
• Vapor Pressure: 0.058mmHg at 25°C
• Refractive Index: 1.5220
• PKA: 10.41±0.10(Predicted)
• CAS DataBase Reference: 5-ethyl-o-cresol(CAS DataBase Reference)
• NIST Chemistry Reference: 5-ethyl-o-cresol(1687-65-6)
• EPA Substance Registry System: 5-ethyl-o-cresol(1687-65-6)

Safety Data

• Hazardous Substances Data: 1687-65-6(Hazardous Substances Data)

Usage

General Description

5-Ethyl-o-cresol is a chemical compound with the molecular formula C9H12O. It is a white crystalline solid with a phenolic odor, commonly used as a fragrance ingredient in consumer products such as soaps, detergents, and household cleaners. It is also used as an intermediate in the production of other chemicals. 5-Ethyl-o-cresol has been identified as a potential allergen and respiratory irritant, and may cause skin and eye irritation upon contact. Its use is regulated in some countries due to potential health and environmental concerns.

InChI:InChI=1/C9H12O/c1-3-8-5-4-7(2)9(10)6-8/h4-6,10H,3H2,1-2H3

Upstream product

• 33414-49-2 1-(3-hydroxy-4-methylphenyl)ethanone 
• 17070-96-1 5-ethyl-2-methylphenylamine 
• 811-98-3 d⁽⁴⁾-methanol 
• 343942-17-6 1-ethyl-4-methyl-4-nitrocyclohexa-2,5-dienyl methyl ether 
• 622-96-8 4-methylethylbenzene 
• 79744-79-9 dilithium salt of 3-hydroxy-4-methylbenzoic acid 
• 17071-24-8 1-(3-amino-4-methylphenyl)ethanone 
• 62559-42-6 4-ethyl-2-nitrotoluene 
• 1114808-93-3 2-(benzyloxy)-4-bromo-1-methylbenzene 
• 36138-76-8 5-bromo-2-methylphenol 
• 942499-01-6 3-hydroxy-4-methyl-2H-pyran-2-one 
• 27675-37-2 (E)-1-nitrobut-1-ene 

Downstream Products

• 104216-49-1 (5-ethyl-2-methyl-phenoxy)-acetic acid 

Relevant articles and documents

Synthesis of Highly Substituted Phenols and Benzenes with Complete Regiochemical Control

Substituted phenols are requisite molecules for human health, agriculture, and diverse synthetic materials. We report a chemical synthesis of phenols, including penta-substituted phenols, that accommodates programmable substitution at any position. This method uses a one-step conversion of readily available hydroxypyrone and nitroalkene starting materials to give phenols with complete regiochemical control and in high chemical yield. Additionally, the phenols can be converted into highly and even fully substituted benzenes.

2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS

The present disclosure provides phenolic compounds useful in the treatment of neurological conditions such as convulsions and tremors, having the structure of Formula (I): wherein R2, R4, and R5, are as defined in the detailed description; pharmaceutical compositions comprising at least one of the compounds; and methods for treating neurological conditions.

Studies on the Catalytic Oxidation of Alkanes and Alkenes by Titanium Silicates

Titanium containing, aluminum-free ZSM-5 (TS-1) and amorphous TiO2-SiO2 coprecipitate are investigated as catalysts for the selective oxidation of alkanes and alkenes using a variety of oxidants at temperatures below 100 deg C. Comparisons between the activities of TS-1 and the TiO2-SiO2 coprecipitate for alkane oxidation and alkene epoxidation using nonaqueous H2O2 indicate that the absence of water is crucial for the catalytic activity of silica-supported titanium. Due to the hydrophobicity of TS-1, the concentration of water surrounding the titanium is maintained at a low value, and thus TS-1 can be used as an oxidation catalyst with aqueous H2O2 as oxidant. Alkyl hydroperoxides are active as oxidants for alkene epoxidation on the TiO2-SiO2 coprecipitate but not for alkane oxidation reactions on both TS-1 and the TiO2-SiO2 coprecipitate. A plausible explanation for the above results is provided. The presence of stereoscrambling without any "radical clock" rearrangement during alkane oxidation on TS-1 indicates that the radicals formed may have a very short life-time, or their movements are restricted such that no rearrangement can occur. A proposal for the mechanism of alkane oxidation on TS-1 is given and compared to a mechanism suggested for alkene epoxidation on TS-1 and the TiO2-SiO2 coprecipitate.