Butyl 2-oxopropanoate

Basic Information

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CAS Number

20279-44-1

Molecular Formula

C7H12O3

Molecular Weight

144.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

191°Cat760mmHg

Flash Point

71.4°C

Refractive Index

1.41

SMILES

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CCCCOC(=O)C(=O)C

InChI

InChI=1S/C7H12O3/c1-3-4-5-10-7(9)6(2)8/h3-5H2,1-2H3

InChIKey

ZAZUOXBHFXAWMD-UHFFFAOYSA-N

LogP

0.9187000000000001

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

129

Safety Information

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Hazard Statement

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

Synonyms & References

English

Q63396441
2-oxo-propionic acid butyl ester
Butylpyruvate
CS-0449459
Butyl 2-oxopropanoate
FT-0651645
DTXSID20335220
AKOS006280003
SCHEMBL139434
n-butyl pyruvate
Butyl pyruvate
A814375
20279-44-1
N,N-Dimethylcarbamic Acid 3-Pyridinyl Ester
pyruvic acid butyl ester
2-oxopropanoic acid butyl ester
Brenztraubensaeure-butylester
butyl 2-oxidanylidenepropanoate
Butylpyruvat
CH3-CH2-CH2-CH2-O-CO-CO-CH3
Propanoic acid,2-oxo-,butyl ester

MDL Number

MFCD03265385

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Butyl 2-oxopropanoate (CAS: 20279-44-1)?

Butyl 2-oxopropanoate (CAS: 20279-44-1) falls under the GHS classification for Class 3 Flammable Liquids. It is also subject to REACH regulations in the EU, requiring suppliers to register with ECHA and provide safety data sheets. FDA regulations apply to its use in food contact materials, while EPA regulations govern its discharge into the environment and use in industrial settings.

Are there alternatives to Butyl 2-oxopropanoate (CAS: 20279-44-1) in synthesis?

There are several alternatives to Butyl 2-oxopropanoate (CAS: 20279-44-1) in synthesis, including other esters like methyl 2-oxopropanoate and ethyl 2-oxopropanoate. Isomers such as the cis and trans forms can also be used, depending on the specific reaction requirements. Common substitutes include other carboxylic acid derivatives that can be easily converted to the desired ester through esterification reactions.

What is the market or research trend for Butyl 2-oxopropanoate (CAS: 20279-44-1)?

The market for Butyl 2-oxopropanoate (CAS: 20279-44-1) is growing due to its use in the production of fragrances and flavorings. Research trends are focusing on its application in biodegradable plastics and solvents. Market demand is also influenced by its price and substitution by more sustainable alternatives. Recent studies are exploring its potential in green chemistry processes.

How should waste containing Butyl 2-oxopropanoate (CAS: 20279-44-1) be handled?

Waste containing Butyl 2-oxopropanoate (CAS: 20279-44-1) should be collected in appropriate containers and stored in a well-ventilated area away from heat sources. It should be disposed of by incineration or through professional waste disposal services that comply with local regulations. Proper disposal is crucial to prevent environmental contamination and ensure safety during handling and transportation. Environmental protection measures include monitoring for leaks and proper labeling of containers.