Ethyl (methylsulfanyl)acetate

Basic Information

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CAS Number

4455-13-4

Molecular Formula

C5H10O2S

Molecular Weight

134.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

70-72 °C/25 mmHg

Water Solubility

Miscible with alcohol. Immiscible with water.

Refractive Index

n20/D 1.459(lit.)

SMILES

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CCOC(=O)CSC

InChI

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

InChIKey

MDIAKIHKBBNYHF-UHFFFAOYSA-N

LogP

0.9125

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

72.8

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Ethyl 2-(methylthio)acetate
Ethyl (methylthio)acetate
ethyl 2-methylsulfanylacetate
Ethyl α-(methylthio)acetate
(Methylthio)acetic Acid Ethyl Ester
Acetic acid, (methylthio)-, ethyl ester
Ethyl 2-(methylthio)-acetate
Ethyl alpha-(methylthio)acetate
ethyl 2-(methylsulfanyl)acetate
Ethyl .alpha.(methylthio)acetate
MDIAKIHKBBNYHF-UHFFFAOYSA-N
6148QQN25T
methylsulfanyl-acetic acid ethyl ester
MeSCH2CO2Et
ethyl ((methylthio)acetate
Ethyl a-(methylthio)a

MDL Number

MFCD00009182

Customs Code

2930909090

FAQ

What is Ethyl (methylsulfanyl)acetate (CAS: 4455-13-4)?

Ethyl (methylsulfanyl)acetate is a chemical compound with the CAS number 4455-13-4. It is a colorless to light yellow liquid with a distinctive odor. It has a molecular formula of C6H12O2S and is commonly used in the fragrance and flavor industry due to its pleasant aroma.

What are the main uses of Ethyl (methylsulfanyl)acetate (CAS: 4455-13-4)?

Ethyl (methylsulfanyl)acetate (CAS: 4455-13-4) is widely used in the fragrance and flavor industry as a flavoring agent and aroma compound. It is also utilized in the food industry, perfumery, and as a solvent in some research applications.

Is Ethyl (methylsulfanyl)acetate (CAS: 4455-13-4) safe?

Ethyl (methylsulfanyl)acetate (CAS: 4455-13-4) is generally considered safe for use, but it should be handled with caution. It is important to follow safety guidelines, including proper ventilation, use of protective equipment, and adherence to all material safety data sheet (MSDS) recommendations.

How should Ethyl (methylsulfanyl)acetate (CAS: 4455-13-4) be stored?

Ethyl (methylsulfanyl)acetate (CAS: 4455-13-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container and stored at room temperature or below 25°C. Avoid exposure to moisture and maintain proper ventilation to prevent degradation.