705-82-8

Basic information

• Product Name: 2-(4-CHLORO-3-METHYLPHENOXY)-ETHANOL
• Synonyms: 2-(4-CHLORO-3-METHYLPHENOXY)-ETHANOL;ETHANOL, 2-(4-CHLORO-3-METHYLPHENOXY)-
• CAS NO: 705-82-8
• Molecular Formula: C9H11ClO2
• Molecular Weight: 186.64
• Mol File: 705-82-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 301.7°C at 760 mmHg
• Flash Point: 136.3°C
• Appearance: /
• Density: 1.198g/cm³
• Vapor Pressure: 0.000458mmHg at 25°C
• Refractive Index: 1.539
• CAS DataBase Reference: 2-(4-CHLORO-3-METHYLPHENOXY)-ETHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-CHLORO-3-METHYLPHENOXY)-ETHANOL(705-82-8)
• EPA Substance Registry System: 2-(4-CHLORO-3-METHYLPHENOXY)-ETHANOL(705-82-8)

Safety Data

• Hazardous Substances Data: 705-82-8(Hazardous Substances Data)

Usage

General Description

2-(4-chloro-3-methylphenoxy)-ethanol is a chemical compound that belongs to the class of phenoxyethanol compounds, which are commonly used as preservatives in various cosmetic and personal care products. It is derived from a combination of chloro and methyl groups attached to a phenyl ring, as well as an ethanol functional group. 2-(4-CHLORO-3-METHYLPHENOXY)-ETHANOL is known for its antimicrobial properties, making it effective in preventing the growth of bacteria and fungi in cosmetic products. However, there is some controversy surrounding its safety and potential health effects, particularly in relation to skin irritation and allergic reactions. Therefore, it is important to use products containing this chemical with caution and to follow the recommended usage guidelines.

InChI:InChI=1/C9H11ClO2/c1-7-6-8(12-5-4-11)2-3-9(7)10/h2-3,6,11H,4-5H2,1H3

Upstream product

• 588-20-5 4-chloro-3-methylphenoxyacetic acid 
• 107-07-3 2-chloro-ethanol 
• 540-51-2 2-bromoethanol 
• 59-50-7 4-Chloro-3-methylphenol 

Relevant articles and documents

Synthesis, anticonvulsant activity and metabolism of 4-chlor-3-methylphenoxyethylamine derivatives of trans-2-aminocyclohexan-1-ol

In this study, we report the synthesis, spectral characterization, antiepileptic activity and biotransformation of three new, chiral, N-aminoalkyl derivatives of trans - 2 aminocyclohexan-1-ol: 1 (R enantiomer), 2 (S enantiomer) and 3 (racemate). Antiepileptic activity of the titled compounds was studied using MES and scMet. Moreover, in this study, the biotransformation of 1, 2 and 3 in microbial model (Cunninghamella), liver microsomal assay as well as in silico studies (MetaSite) was evaluated. Studies have indicated that 1, 2 and 3 have good antiepileptic activity in vivo, comparable to valproate. Biotransformation assays showed that the most probable metabolite (indicated in every tested assays) was M1. The microbial model as well as in silico study showed no difference in biotransformation between tested enantiomers. However, in a rat liver microsomal study compound 1 and 2 (R and S enantiomer) had different main metabolite - M2 for 1 and M1 for 2. MS/MS fragmentation allowed us to predict the structures of obtained metabolites, which were in agreement with 1°alcohol (M1) and carboxylic acid (M2). Our research has shown that microbial model, microsomal assay, and computational methods can be included as useful and reliable tools in early ADME-Tox assays in the process of developing new drug candidates.