4455-13-4

Basic information

• Product Name: ETHYL (METHYLTHIO)ACETATE
• Synonyms: FEMA 3835;ETHYL (METHYLTHIO)ACETATE;ETHYL ALPHA-(METHYLTHIO)ACETATE;ETHYL 2-(METHYLTHIO)ACETATE;METHYLTHIOACETIC ACID ETHYL ESTER;(Methylmercapto)-essigsαure-ethylester;(methylthio)-aceticaciethylester;Acetic acid, (methylthio)-, ethyl ester
• CAS NO: 4455-13-4
• Molecular Formula: C₅H₁₀O₂S
• Molecular Weight: 134.2
• EINECS: 224-700-2
• Product Categories: C2 to C5;Carbonyl Compounds;Esters
• Mol File: 4455-13-4.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 70-72 °C25 mm Hg(lit.)
• Flash Point: 139 °F
• Appearance: colorless/
• Density: 1.043 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.91mmHg at 25°C
• Refractive Index: n20/D 1.459(lit.)
• Storage Temp.: 2-8°C
• Water Solubility: Miscible with alcohol. Immiscible with water.
• Sensitive: Moisture Sensitive
• BRN: 1744999
• CAS DataBase Reference: ETHYL (METHYLTHIO)ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL (METHYLTHIO)ACETATE(4455-13-4)
• EPA Substance Registry System: ETHYL (METHYLTHIO)ACETATE(4455-13-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: UN 3272 3/PG 3
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 4455-13-4(Hazardous Substances Data)

Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 4455-13-4 differently. You can refer to the following data:
1. clear colorless to slightly yellow liquid
2. Ethyl-2-(methylthio)acetate has a fruity odor.

Occurrence

Reported found in melon, apple, pineapple, durian, yellow passion fruit and kiwifruit.

Uses

Different sources of media describe the Uses of 4455-13-4 differently. You can refer to the following data:
1. Ethyl (methylthio)acetate is used as an internal standard during the analytical determination of volatile sulfur compounds in port wines. Further, it is used as food flavors.
2. Ethyl (methylthio)acetate was used as internal standard during the analytical determination of volatile sulfur compounds in port wines.

Aroma threshold values

Detection: 250 ppb. Aroma characteristics at 1.0%: sweet, ethereal, rummy with a fruity sulfureous note, slightly vegetative cauliflower with a garlic nuance.

Taste threshold values

Taste characteristics at 1 to 2 ppm: sweet, fruity melon with an uplifting rummy undertone.

General Description

Natural occurrence: Apple and melon.

Biochem/physiol Actions

Taste at 1-2 ppm

InChI:InChI=1/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3

Upstream product

• 105-39-5 chloroacetic acid ethyl ester 
• 5188-07-8 sodium thiomethoxide 
• 75-18-3 dimethylsulfide 
• 105-36-2 ethyl bromoacetate 
• 70406-92-7 N-(6-amino-2,3-dichlorobenzyl)glycine ethyl ester 
• 10191-60-3 dimethyl N-cyanodithioiminocarbonate 
• 5187-82-6 (ethoxycarbonylmethyl)dimethylsulfonium bromide 
• 1665-65-2 diethyl 2,2'-disulfanediyldiacetate 
• 121-45-9 phosphorous acid trimethyl ester 
• 623-51-8 ethyl 2-sulfanylacetate 
• 74-88-4 methyl iodide 
• 7380-81-6 ethyl (dimethylsulfuranylidene)acetate 
• 623-48-3 ethyl iodoacetae 
• 4455-14-5 ethyl 2-(methylsulfinyl)acetate 

Downstream Products

• 22551-24-2 2-(methylthio)acetamide 
• 925-47-3 diethyl thioglycolate 
• 76301-19-4 4,9-Dimethoxy-7--5H-furo<3,2-g><1>benzopyran-5-one 
• 81423-78-1 ethyl 2-(methylthio)-4-(methylsulfonyl)-7-phenyl-4,6-heptadienoate 
• 81423-76-9 ethyl 2-(methylthio)-4-(ethoxycarbonyl)-7-phenyl-4,6-heptadienoate 
• 133625-34-0 3,5-dimethylphenyl (methylthio)acetate 
• 35658-04-9 norbornylacetic acid ethyl ester 
• 93892-06-9 8-hydroxyoctanoic acid ethyl ester 
• 5452-75-5 ethyl 2-cyclohexylacetate 
• 4455-15-6 ethyl methanesulfonylacetate 
• 123-56-8 Succinimide 

Relevant articles and documents

Stereoselective Cyclopropanation of (-)-Levoglucosenone Derivatives Using Sulfonium and Sulfoxonium Ylides

The synthesis of tri- and tetrasubstituted cyclopropanes from 3-aryl-substituted levoglucosenones (LGO) has been developed. In contrast to the unstabilised ylide dimethylsulfonium methylide which gives epoxides from LGO via 1,2-addition, we have found that the soft nucleophile dimethylsulfoxonium methylide affords cyclopropanes in moderate yields from LGO and in excellent yields and stereoselectivity with 3-aryl LGO derivatives. The use of 1,1,3,3-tetramethylguanidine as base in DMSO to generate the ylide provided the best yields and shortest reaction times. Ester stabilised sulfonium ylides could also be used to generate tetrasubstituted cyclopropane derivatives. One of the products was converted into a cyclopropyl lactone via Baeyer-Villiger oxidation to demonstrate the utility of applying cyclopropanation chemistry to LGO. Georg Thieme Verlag Stuttgart.New York.

Combinatorial synthesis of 3,5-Dimethylene substituted 1,2,4-Triazoles

Combinatorial cyclizations of imidates and hydrazides with methylene linked R groups, generated from the corresponding nitriles and carboxylic acids, respectively, provided a large library of 3,5-dimethylene substituted 1,2,4- trizoles. 2011 Bentham Science Publishers Ltd.

PROCESS FOR PRODUCING ESTER COMPOUND

PROBLEM To provide an environmentally-friendly method for producing industrially an ester compound. SOLUTION The present invention is a method for producing an ester compound which comprises subjecting a carboxylic acid and an alcohol to dehydration-condensation reaction using an involatile acid catalyst and then removing the residual acid catalyst by bringing a weak basic substance into contact with the residual acid catalyst.