S-Propyl propanethioate

Basic Information

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CAS Number

165804-07-9

Molecular Formula

C6H12OS

Molecular Weight

132.23 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

196 ºC

Flash Point

79 ºC

Refractive Index

1.5150

SMILES

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CCCOC(=O)CCS

InChI

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

InChIKey

CLBGDLKFLYZLDQ-UHFFFAOYSA-N

LogP

2.0662000000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

83.1

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Air Sensitive

Synonyms & References

English

J-010230
FT-0643590
DTXSID80428566
Propanoic acid, 3-mercapto-, propyl ester
SCHEMBL5829840
RIMHDIYZJQVNSO-UHFFFAOYSA-N
Propyl 3-mercaptopropanoate
165804-07-9
Propyl3-mercaptopropanoate
n-Propyl 3-mercaptopropanoate
propyl 3-sulfanylpropanoate
N-PROPYL 3-MERCAPTOPROPIONATE
n-Propyl 3-mercaptopropionate
3-Mercaptopropionic acid n-propyl ester
Propyl 3-sulfanylpropanoate
Propyl 3-mercaptopropionate
3-Mercaptopropanoic acid propyl ester

MDL Number

MFCD00039938

Customs Code

2930909090

FAQ

What regulatory guidelines apply to S-Propyl propanethioate (CAS: 165804-07-9)?

S-Propyl propanethioate (CAS: 165804-07-9) should comply with the Global Harmonized System of Classification and Labeling of Chemicals (GHS) for classification and labeling. In the European Union, it must adhere to REACH regulations, and in the United States, it should meet FDA and EPA requirements. Specific guidelines include proper storage, handling, and disposal to prevent environmental and health risks.

Are there alternatives to S-Propyl propanethioate (CAS: 165804-07-9) in synthesis?

There are several alternatives that can be used in synthesis as substitutes for S-Propyl propanethioate (CAS: 165804-07-9), such as S-Butyl propanethioate and S-Isopropyl propanethioate. These analogs offer similar functional groups and can be selected based on the specific reaction conditions and desired product characteristics.

What is the market or research trend for S-Propyl propanethioate (CAS: 165804-07-9)?

The market for S-Propyl propanethioate (CAS: 165804-07-9) is growing due to its applications in perfumery and flavoring agents. Research trends are focusing on its potential in medicinal chemistry and as a precursor in organic synthesis. However, price fluctuations and regulatory changes can impact market dynamics.

How should waste containing S-Propyl propanethioate (CAS: 165804-07-9) be handled?

Waste containing S-Propyl propanethioate (CAS: 165804-07-9) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but ensure it meets environmental and safety standards. Always follow local regulations for hazardous waste disposal to minimize environmental impact.