Ethyl 3-(methylsulfanyl)propanoate

Basic Information

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CAS Number

13327-56-5

Molecular Formula

C6H12O2S

Molecular Weight

148.23 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

Basic Physical Properties

Boiling Point

192°C

Flash Point

177 °F

Refractive Index

1.459-1.461

SMILES

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CCOC(=O)CCSC

InChI

InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3

InChIKey

YSNWHRKJEKWJNY-UHFFFAOYSA-N

LogP

1.3026

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

83.1

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

ethyl 3-(methylthio)propionate
Ethyl 3-methylthiopropionate
Ethyl-3-methylthio propionate
3-(Methylthio)propionic Acid Ethyl Ester
EDTA tripotassiuM salt
ethyl 3-methylsulfanylpropanoate
3-(Methylthio)-propanoic acid ethyl ester
FEMA 3343
Ethyl pineappie
RARECHEM AL BI 0161
Pineappleacid ethyl ester
Ethyl methylthiopropanoate
ethyl 3-methylthiopropanoate
MTHYL 3-METHYLTHIOPROPIONATE
ETHYL-BETA-METHYLTHIOPROPIONATE
ethyl methyl mercaptopropionate
Ethyl3-methylthiopropionate
ETHYL 3-(METHYLTHIO)PROPIONATE

MDL Number

MFCD00039900

Customs Code

2930909090

FAQ

What is Ethyl 3-(methylsulfanyl)propanoate (CAS: 13327-56-5)?

Ethyl 3-(methylsulfanyl)propanoate is an organic compound with the CAS number 13327-56-5. It is a colorless liquid with a distinctive odor. Its chemical formula is C7H14O2S. This compound is used in various applications and has a characteristic fruity flavor, which makes it useful in the food industry.

What are the main uses of Ethyl 3-(methylsulfanyl)propanoate (CAS: 13327-56-5)?

Ethyl 3-(methylsulfanyl)propanoate is primarily used as a flavoring agent in the food industry, providing a sweet, fruity taste. It is also utilized in the fragrance industry for perfumes and in the chemical synthesis of other compounds. Additionally, it can be used as a solubilizer in pharmaceutical preparations.

Is Ethyl 3-(methylsulfanyl)propanoate (CAS: 13327-56-5) safe?

Ethyl 3-(methylsulfanyl)propanoate is considered safe for use in food and cosmetics when used as directed. However, it can cause skin and eye irritation. Proper handling and adherence to safety guidelines, such as wearing gloves and protective eyewear, are recommended. It is important to consult the Material Safety Data Sheet (MSDS) for detailed information on safe handling and storage.

How should Ethyl 3-(methylsulfanyl)propanoate (CAS: 13327-56-5) be stored?

Ethyl 3-(methylsulfanyl)propanoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to air and moisture. The storage temperature should be below 25°C (77°F) to maintain stability. Avoid storing it in high humidity environments to prevent degradation. Keep it out of reach of children and pets.