O-Ethyl butanethioate

Basic Information

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CAS Number

20807-99-2

Molecular Formula

C6H12OS

Molecular Weight

132.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

SMILES

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CCCC(=S)OCC

InChI

InChI=1S/C6H12OS/c1-3-5-6(8)7-4-2/h3-5H2,1-2H3

InChIKey

RORXPBSQGSNAIO-UHFFFAOYSA-N

LogP

2.1504000000000003

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

70.9

Synonyms & References

English

DTXSID70441961
20807-99-2
FT-0656146
SCHEMBL1359007
ethyl thiobutyrate
AKOS006288002
Q-100259
O-ethyl butanethioate
924-74-3
Ethyl thiobutyrate
ETHLY THIOBUTYRATE
Butanethioic acid,S-butyl ester
Butyl thiobutyrate
Butyl-thiobutyrat
Butyric acid,thio-,S-sec-butyl ester
ethyl butanethioate
Thiobuttersaeure-S-aethylester
Thiobuttersaeure-S-butylester
thiobutyric acid S-butyl ester
thiobutyric acid S-ethyl ester

MDL Number

MFCD08457829

Customs Code

2930909090

FAQ

What are the physical and chemical properties of O-Ethyl butanethioate (CAS: 20807-99-2)?

O-Ethyl butanethioate (CAS: 20807-99-2) is a liquid with a characteristic odor. Its molecular weight is approximately 154.23 g/mol. It is slightly soluble in water but miscible with most organic solvents. The compound is mildly reactive and should be stored away from strong oxidizers and heat sources to prevent degradation.

How is O-Ethyl butanethioate (CAS: 20807-99-2) typically synthesized?

O-Ethyl butanethioate can be synthesized via the reaction of ethyl bromide with butanethiol in the presence of a base such as sodium hydroxide. The reaction yields a mixture of isomers, but the major product is the O-ethyl isomer. The yield is typically around 80-85%. This method provides a straightforward route to the compound.

What industries use O-Ethyl butanethioate (CAS: 20807-99-2)?

O-Ethyl butanethioate (CAS: 20807-99-2) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also used in the production of fragrances, as a solvent, and in the development of chemical sensors for detecting thiols in various applications.

What precautions should be taken when handling O-Ethyl butanethioate (CAS: 20807-99-2)?

When handling O-Ethyl butanethioate (CAS: 20807-99-2), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Operations should be performed in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately, and proper waste disposal procedures should be followed. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.