55332-38-2

Basic information

• Product Name: ESFENVALERATE FREE ACID METABOLITE
• Synonyms: S-2-(4-chlorophenyl)-3-methylbutyricacid;Esfenvalerate free acid metabolite, 10 μg /μL in cyclohexane;Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, (alphaS)-
• CAS NO: 55332-38-2
• Molecular Formula: C₁₁H₁₃ClO₂
• Molecular Weight: 212.68
• Mol File: 55332-38-2.mol
• Article Data: 36

Chemical Properties

• Melting Point: 89-91 °C
• Boiling Point: 318.7 °C at 760 mmHg
• Flash Point: 146.5 °C
• Appearance: /
• Density: 1.184 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.13±0.10(Predicted)
• CAS DataBase Reference: ESFENVALERATE FREE ACID METABOLITE(CAS DataBase Reference)
• NIST Chemistry Reference: ESFENVALERATE FREE ACID METABOLITE(55332-38-2)
• EPA Substance Registry System: ESFENVALERATE FREE ACID METABOLITE(55332-38-2)

Safety Data

• Hazardous Substances Data: 55332-38-2(Hazardous Substances Data)

Usage

General Description

Esfenvalerate free acid metabolite is a chemical compound that results from the metabolism of esfenvalerate, a synthetic pyrethroid insecticide used in agriculture. This insecticide is highly toxic to many insects and works by disrupting their nervous systems, leading to paralysis and death. The free acid metabolite is produced when esfenvalerate is broken down or metabolized in the environment or within organisms. As a degradation product, it is less toxic than the parent compound but may still pose certain environmental risks. Its presence can indicate prior use of esfenvalerate and can be used to monitor pesticide contamination.

Upstream product

• 2012-81-9 3-Methyl-2-(4'-chlorophenyl)-butyronitrile 
• 74408-48-3 2-(4-Chlorophenyl)-3-methylbutyraldehyde 
• 1878-66-6 4-chlorophenylacetic Acid 
• 75-29-6 isopropyl chloride 
• 33131-40-7 2-(4-chlorophenyl)-3-methylcrotonic acid 
• 69741-69-1 2-(4-chlorophenyl)-3-methylbutyramide 
• 124932-02-1 (S)-2-(4-Chloro-phenyl)-3-methyl-butyric acid 2'-hydroxy-[1,1']binaphthalenyl-2-yl ester 
• 2012-74-0 2-(4-chlorophenyl)-3-methylbutyric acid 
• 86618-06-6 methyl 2-(4-chlorophenyl)-3-methylbutanoate 
• 66230-04-4 esfenvalerate 
• 51631-50-6 2-(4-chlorophenyl)-3-methyl-(2SR)-butanoyl chloride 
• 140-53-4 p-chlorobenzyl cyanide 
• 622-95-7 4-chlorobenzyl bromide 
• 106-43-4 para-chlorotoluene 

Downstream Products

• 51631-50-6 2-(4-chlorophenyl)-3-methyl-(2SR)-butanoyl chloride 
• 63640-09-5 (R)-2-(4-chlorophenyl)-3-methylbutyric acid 
• 73591-05-6 (-)-CPA-(-)-PEA salt 
• 71656-96-7 (+)-CPA-(-)-PEA salt 
• 69741-69-1 2-(4-chlorophenyl)-3-methylbutyramide 
• 92742-11-5 p-chlorophenyl isopropyl ketene 
• 1208552-77-5 C₁₄H₁₇ClN₂OS 
• 1208552-61-7 C₁₆H₁₇ClN₂O 
• 1208552-68-4 C₁₄H₁₅ClN₂O₂ 
• 300851-67-6 4-chloro-α-(1-methylethyl)-N-2-thiazolylbenzeneacetamide 
• 1208552-60-6 C₁₆H₁₇ClN₂O 
• 1208552-62-8 C₁₆H₁₇ClN₂O 
• 1208552-72-0 C₁₄H₁₆ClN₃O 
• 1208552-75-3 C₁₄H₁₅ClN₂O₂ 

Relevant articles and documents

Enantioselective extraction of fenvaleric acid enantiomers by two-phase (W/O) recognition chiral extraction

To establish an extraction method for fenvaleric acid (FA) enantiomers using l-iso-butyl-l-tartaric esters and hydroxypropyl-β-cyclodextrin (HP-β-CD) as chiral selector, the distribution of FA enantiomers was examined in methanol aqueous solution containing HP-β-CD and 1,2-dichloroethane organic solution containing l-iso-butyl-l-tartaric esters. The influences of the concentration of l-iso-butyl-l-tartaric esters and HP-β-CD, organic diluent, pH, extraction temperature and the concentration of methanol aqueous solution on the partition coefficient (k) and separation factor (α) of FA were investigated. The experiment results showed that the complex formed by l-iso-butyl-l-tartaric esters with S-enantiomer is stabler than that with R-enantiomer. With the increase of the concentration of l-iso-butyl-l-tartaric ester, k and α increased; With the increase of the concentration of HP-β-CD, k increased firstly, and then decreased, but α increased all the while, k was the highest when the concentration of HP-β-CD was 4 mmol L-1. 1,2-dichloroethane organic diluent was better than the others. With the increase of pH, k and α decreased; with further increasing concentration of methanol aqueous solution, k and α decreased, k and α were the highest when the concentration of methanol aqueous solution was 10%. The extraction temperature had a great influence on k and α, too.

Manganese Catalyzed Hydrogenation of Enantiomerically Pure Esters

A manganese-catalyzed hydrogenation of esters has been accomplished with TONs up to 1000, using cheap, environmentally benign, potassium carbonate and simple alcohols as activator and solvent, respectively. The weakly basic conditions lead to good functional group tolerance and enable the hydrogenation of enantiomerically enriched α-chiral esters with essentially no loss of stereochemical integrity.

Screening of by-products of esfenvalerate in aqueous medium using SBSE probe desorption GC-IT-MS technique

The pyrethroids, their metabolites and by-products have been recognized as toxic to environment and human health. Despite several studies about esfenvalerate toxicity and its detection in water and sediments, information about its degradation products is still scanty. In this work, esfenvalerate degradation products were obtained by chemical oxidation with hydrogen peroxide and their structure was elucidated using a procedure known as stir bar sorptive extraction (SBSE) probe desorption gas chromatography-ion trap mass spectrometry (GC-IT-MS) analysis. This procedure consists of the thermal desorption of analytes extracted from a SBSE stir bar introduced by a probe into a gas chromatograph (GC) coupled to an ion trap mass spectrometry (IT-MS) system. Based on IT-MS data, a degradation pathway of esfenvalerate is proposed with ten products of chemical oxidation of esfenvalerate that are fully identified. Among these compounds, 3-phenoxybenzoic acid and 3-phenoxybenzaldehyde were detected, reported as being environmental metabolites of some pyrethroids, with endocrine-disrupting activity.