2-Oxobutanoic acid

Basic Information

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CAS Number

600-18-0

Molecular Formula

C4H6O3

Molecular Weight

102.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

30-34 °C

Boiling Point

84 °C/20 mmHg

Density

0.878 g/mL

Solubility

H2O: soluble0.1g/mL, clear

Refractive Index

n/D 1.490

SMILES

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CCC(=O)C(=O)O

InChI

InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)

InChIKey

TYEYBOSBBBHJIV-UHFFFAOYSA-N

LogP

0.05009999999999998

pKa

2.5(at 25℃)

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

95.1

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class 8 Class 8

Sensitiveness

易吸湿, 对热敏感

Synonyms & References

English

2-Oxobutanoic acid
2-Oxobutyric acid
Methylpyruvic acid~2-Oxobutyric acid~Propionylformic acid
2-Ketobutyric acid
a-Ketobutyricacid
α-Ketobutyric Acid
Propionylformic acid
alpha-ketobutyric acid
BUTANOIC ACID, 2-OXO-
Ketobutyrate
2-oxobutyrate
3-Methylpyruvic acid
2-oxobutanoate
Pyruvic acid, methyl-
Butyric acid, 2-oxo-
Formic acid, propionyl-
2-Ketobutanoic acid
alpha-Oxo-n-butyric acid
alpha-oxobutyric acid
3-methyl pyruvic acid
2-Oxo-n-butyric acid
alpha-ketobutyrate
2-oxo-butyrate
2-oxo-Butyric acid
2-oxo-butanoic acid
alpha-Ketobutric acid
2-keto-butyrate
alpha-Keto-n-butyr

MDL Number

MFCD00004164

Customs Code

2918300090

FAQ

What is 2-Oxobutanoic acid (CAS: 600-18-0)?

2-Oxobutanoic acid, also known as 2-oxobutanoate or alpha-ketobutyric acid, is a carboxylic acid with the chemical formula C4H4O3. It is a colorless or white crystalline solid with a pungent odor. This compound is an important intermediary in amino acid metabolism and has applications in various fields such as pharmaceuticals and organic synthesis.

What are the main uses of 2-Oxobutanoic acid (CAS: 600-18-0)?

2-Oxobutanoic acid is primarily used in the synthesis of other compounds, including pharmaceuticals and flavoring agents. It is also used as a reagent in organic chemistry and as an intermediate in the production of certain food additives and fragrances. Additionally, it has applications in the study of metabolic pathways and as a reference substance in analytical chemistry.

Is 2-Oxobutanoic acid (CAS: 600-18-0) safe?

2-Oxobutanoic acid is generally considered safe for laboratory use, but it should be handled with caution. It is irritating to the eyes and skin. Users should wear gloves and safety glasses when handling this compound. Ensure proper ventilation and avoid contact with moisture or heat. Keep the substance away from sources of ignition and store it in a cool, dry place, away from direct sunlight. Follow standard laboratory safety protocols for the handling of chemicals.

How should 2-Oxobutanoic acid (CAS: 600-18-0) be stored?

2-Oxobutanoic acid should be stored in a cool, dry place, away from direct sunlight and sources of ignition. Store it in a tightly sealed container to protect it from moisture. The ideal storage temperature is between 15°C and 25°C. Avoid storing it in humid environments as moisture can affect its stability. Ensure the container is sealed and protected from light to maintain its quality and purity.