S-Methyl butanethioate

Basic Information

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CAS Number

2432-51-1

Molecular Formula

C5H10OS

Molecular Weight

118.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

142-143 °C/757 mmHg

Refractive Index

n20/D 1.461(lit.)

SMILES

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CCCC(=O)SC

InChI

InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3

InChIKey

GRLJIIJNZJVMGP-UHFFFAOYSA-N

LogP

1.6761

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

61.1

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

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

Synonyms & References

English

S-methyl butanethioate
Methyl thiobutyrate
S-Methyl Thiobutyrate
METHL THIOBUTYRATE
S-Methyl Thiobutanoate
BUTANETHIOIC ACID,S-METHYL ESTER
Buttersaeurethiomethylester
Butyric acid,thio-,S-methyl ester
Methanethiol butyrate
Methanethiol n-butyrate
methyl butanethioate
methyl thiol-butyrate
Methyl-thiobutyrat
S-Methyl thiobutanoate,S-Methyl thiobutyrate
Thiobutyric Acid S-Methyl Ester
S-Methyl thiobutanoate

MDL Number

MFCD00009872

Customs Code

2930909090

FAQ

What are the physical and chemical properties of S-Methyl butanethioate (CAS: 2432-51-1)?

S-Methyl butanethioate (CAS: 2432-51-1) is a colorless or pale yellow liquid with a fruity odor. Its molecular weight is 118.17 g/mol. It has a high solubility in organic solvents but is only slightly soluble in water. It is thermally unstable and can undergo hydrolysis. It reacts with strong acids and bases to form corresponding products.

How is S-Methyl butanethioate (CAS: 2432-51-1) typically synthesized?

S-Methyl butanethioate can be synthesized by the addition of methional to methyl iodide in the presence of a base like sodium hydroxide. The reaction is performed in an organic solvent at room temperature. This method provides good yields and good selectivity.

What industries use S-Methyl butanethioate (CAS: 2432-51-1)?

S-Methyl butanethioate is widely used in the agricultural sector as a pesticide, in the food industry as a flavoring agent, and in the pharmaceutical industry for the synthesis of certain sulfur-containing compounds. It is also used in some polymer formulations and as a reagent in analytical chemistry.

What precautions should be taken when handling S-Methyl butanethioate (CAS: 2432-51-1)?

S-Methyl butanethioate is a flammable liquid and should be handled in a well-ventilated area. It should be stored in tightly closed containers in a cool, dry place away from incompatible materials. Eye protection, gloves, and appropriate protective clothing should be worn during handling. In case of spill, it should be handled according to the Material Safety Data Sheet (MSDS/SDS) guidelines.