33963-58-5

Basic information

• Product Name: 4-methylsulfinylbenzoate
• Synonyms: 4-methylsulfinylbenzoate;4-Methanesulfinylbenzoic acid;4-Methylsulfinyl
• CAS NO: 33963-58-5
• Molecular Formula: C₈H₈O₃S
• Molecular Weight: 184.21
• Mol File: 33963-58-5.mol
• Article Data: 40

Chemical Properties

• Melting Point: 229 °C
• Boiling Point: 403.3 °C at 760 mmHg
• Flash Point: 197.7 °C
• Appearance: /
• Density: 1.44 g/cm³
• Vapor Pressure: 3.14E-07mmHg at 25°C
• Refractive Index: 1.648
• Storage Temp.: 2-8°C
• PKA: 3.71±0.10(Predicted)
• CAS DataBase Reference: 4-methylsulfinylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methylsulfinylbenzoate(33963-58-5)
• EPA Substance Registry System: 4-methylsulfinylbenzoate(33963-58-5)

Safety Data

• Hazardous Substances Data: 33963-58-5(Hazardous Substances Data)

Usage

General Description

4-methylsulfinylbenzoate is a chemical compound with the molecular formula C9H10O3S. It is a derivative of benzoic acid with a methylsulfinyl group attached to the benzene ring. 4-methylsulfinylbenzoate is often used as a flavoring agent in food and beverages due to its fruity, berry-like aroma and taste. Additionally, 4-methylsulfinylbenzoate has been studied for its potential therapeutic properties, including its anti-inflammatory and antioxidant effects. It is also used in the production of fragrances and perfumes. Overall, 4-methylsulfinylbenzoate is a versatile compound with various applications in the food, pharmaceutical, and cosmetic industries.

InChI:InChI=1/C8H8O3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)

Upstream product

• 825-99-0 3-methylsulfanyl-benzoic acid 
• 3446-89-7 4-(Methylthio)benzaldehyde 
• 3446-90-0 4-(methylthio)benzyl alcohol 
• 619-58-9 4-iodobenzoic acid 
• 13205-49-7 4-(ethylthio)benzoic acid 
• 144-86-5 N-chloro-4-methylbenzenesulfonamide 
• 13205-48-6 4-(methylthio)benzoic acid 

Downstream Products

• 118362-24-6 N,N-dimethyl-1-[4-(methylsulfinyl)phenyl]methanamine 
• 1570261-96-9 4-(methylsulfinyl)-N-(pyridin-2-yl)benzamide 
• 93183-60-9 ethyl 4-(methylsulfinyl)benzoate 

Relevant articles and documents

Applicability and mathematical verification of the reactivity-selectivity principle in the oxidation of thioanisoles by oxo(salen)manganese(v) complexes

The second-order rate constants for the oxidation of various para-substituted thioanisoles with substituted oxo(salen)manganese(v) complexes have been measured spectrophotometrically in acetonitrile at 25°C. Electron-withdrawing substituents in thioanisol

Modulation of photochemical oxidation of thioethers to sulfoxides or sulfones using an aromatic ketone as the photocatalyst

We have developed an eco-friendly and chemo-selective photocatalytic synthesis of sulfoxides or sulfones via oxidation of sulfides (thioethers) at ambient temperature using air or O2 as the oxidant. An inexpensive thioxanthone was used as the photocatalyst. Our method offers excellent chemical yields and good functional group tolerance. The hydrogen bonding between hexafluoro-2-propanol (HFIP) and sulfoxides may play an important role in minimizing the over-oxidization of sulfoxides.

Switchable Synthesis of Aryl Sulfones and Sulfoxides through Solvent-Promoted Oxidation of Sulfides with O2/Air

A practical and switchable method for the synthesis of aryl sulfones and sulfoxides via sulfide oxidation was developed. The chemoselectivities of products were simply controlled by reaction temperature using O2/air as the terminal oxidant and oxygen source. The broad substrate scope, easy realization of gram-scale production, and the simplification of a sulfide oxidation system render the strategy attractive and valuable.

Selective sulfoxidation with hydrogen peroxide catalysed by a titanium catalyst

A moisture-tolerant cyclopentadienyl-silsesquioxane titanium complex efficiently catalyses the selective oxidation of various types of sulfides to either sulfoxides (TOFs up to 32 530 h-1) or sulfones with H2O2 (30% in water) under mild conditions.