23399-88-4

Basic information

• Product Name: 2,4,6-trichlorophenetole
• Synonyms: 2,4,6-trichlorophenetole;2,4,6-Trichlorophenylethyl ether;Einecs 245-634-0
• CAS NO: 23399-88-4
• Molecular Formula: C₈H₇Cl₃O
• Molecular Weight: 225.49958
• EINECS: 245-634-0
• Mol File: 23399-88-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 270.8°Cat760mmHg
• Flash Point: 103.8°C
• Appearance: /
• Density: 1.36g/cm³
• Vapor Pressure: 0.0111mmHg at 25°C
• Refractive Index: 1.542
• CAS DataBase Reference: 2,4,6-trichlorophenetole(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-trichlorophenetole(23399-88-4)
• EPA Substance Registry System: 2,4,6-trichlorophenetole(23399-88-4)

Safety Data

• Hazardous Substances Data: 23399-88-4(Hazardous Substances Data)

Usage

General Description

2,4,6-trichlorophenetole is a chemical compound with the molecular formula C8H7Cl3O. It is a colorless to pale yellow liquid with a strong, sweet, floral odor. 2,4,6-trichlorophenetole is used as a solvent and as an intermediate in the synthesis of other chemicals. It is also used as a fragrance ingredient in various consumer products. The compound is considered to be hazardous to human health and the environment, and careful handling and disposal procedures are necessary to prevent exposure.

InChI:InChI=1/C8H7Cl3O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3

Upstream product

• 622-61-7 1-chloro-4-ethoxybenzene 
• 1188-33-6 N,N-dimethylformamide diethyl diacetal 
• 88-06-2 2,4,6-Trichlorophenol 
• 60-29-7 diethyl ether 
• 2678-54-8 ketene diethyl acetal 
• 75-03-6 ethyl iodide 
• 1569262-64-1 ethyl N-tert-butyl-4-nitrobenzenesulfonimidate 

Relevant articles and documents

Accurate determination of 2,4,6-trichloroanisole in wines at low parts per trillion by solid-phase microextraction followed by GC-ECD

A headspace solid-phase microextraction (HS-SPME) procedure at 30 °C with a 100 μm PDMS fiber of a saturated NaCl solution stirred at 1100 rpm combined to GC-ECD for the 2,4,6-trichloroanisol (TCA) determination in wines has been developed. Due to the matrix complexity and ethanol absorption into the fiber, the internal standard selection was crucial to obtain unbiased results. Thus, matrix effects were observed when analyzing different types of Spanish wines (white, early, and vintage red wines) spiked with TCA at low concentration levels (i.e., -1). In contrast, the use of 2,4,6-tribromoanisole (TBA) as internal standard overcame these matrix effects, whereas the use of 2,4,6-trichlorophenyl ethyl ether led to inconsistent results. The developed HS-SPME-GC-ECD methodology reaches a limit of quantitation for TCA in wine within 2.9-18 ng L-1, with a relative standard deviation of 2.5-13.4%, depending on the TCA concentration level and wine characteristics. This analytical method is comparable to the existing methodologies based on HS-SPME followed by GC-MS in terms of accuracy, precision, length of determination, and length of quantification; however, analysis cost is reduced.

Formation of Nonaromatic Products in the Chlorination of Simple Substituted Aromatic Ethers

The neat chlorination of 4-chloroanisole produces 1,3,4,5,6-pentachloro-4-methoxycyclohexene in 35percent yield.Mono- and dichlorinated anisoles and a variety of simple substituted anisoles were chlorinated to determine the generality of nonaromatic product formation. 3,4-Dichloroanisole, 4-fluoroanisole, 4-bromoanisole, 4-methylanisole, and 4-chlorophenetole form similar products based on their spectral properties.These products are proposed to form by a cis-1,2-chlorine addition followed by rapid cis-1,4 chlorine addition.On the basis of the NMR data, a predominate configuration is proposed.