3-Methyl-2-oxobutanoic acid

3-Methyl-2-oxobutanoic acid, also known as 3-Methyl butanoyloxy propanoic acid, is a compound that plays a crucial role in everyday life. This compound is commonly used in the synthesis of various pharmaceuticals, agrochemicals, and fragrances. Additionally, 3-Methyl-2-oxobutanoic acid is also utilized in the food industry as a flavoring agent and as a precursor in the production of food additives. Overall, this compound has significant relevance in multiple industries and contributes to various aspects of everyday life.

Table of Contents:

💡 Commercial Applications

3-Methyl-2-oxobutanoic acid, also known as acetoacetate, finds commercial and industrial applications primarily in the production of various polymers, such as polyesters and polyurethanes. These polymers are utilized in the manufacturing of a wide range of products including textiles, adhesives, and coatings.

Additionally, 3-Methyl-2-oxobutanoic acid is used in the food industry as a flavoring agent and is commonly found in artificial butter flavoring and other food products. Its ability to impart a buttery taste makes it a popular choice for enhancing the flavor profile of various food items, such as baked goods and snacks.

In terms of drug and medication applications, 3-Methyl-2-oxobutanoic acid plays a crucial role in the production of certain medications used to treat epilepsy. It is converted in the body to beta-hydroxybutyrate, which can serve as an alternative energy source for the brain in individuals with epilepsy, helping to reduce seizures. Additionally, acetoacetate is also used in the production of certain weight loss supplements due to its potential to induce a state of ketosis in the body.

⚗️ Chemical & Physical Properties

3-Methyl-2-oxobutanoic acid, also known as acetoacetic acid, is a colorless liquid compound with a faint fruity odor. It is commonly used in organic synthesis due to its versatile chemical properties.

The molar mass of 3-Methyl-2-oxobutanoic acid is approximately 130.1 g/mol, with a density of 1.06 g/cm3. This puts it in the range of common household items such as vinegar (molar mass of 60.05 g/mol, density of 1.01 g/cm3) and rubbing alcohol (molar mass of 60.10 g/mol, density of 0.79 g/cm3).

3-Methyl-2-oxobutanoic acid has a melting point of -3 °C and a boiling point of 138 °C. This is comparable to common household items such as water (melting point of 0 °C, boiling point of 100 °C) and cooking oil (melting point of -30 °C, boiling point varies).

This compound is slightly soluble in water and has a low viscosity. Compared to common household items like table salt (high solubility in water) and honey (high viscosity), 3-Methyl-2-oxobutanoic acid falls in between in terms of water solubility and viscosity.

🏭 Production & Procurement

Production of 3-Methyl-2-oxobutanoic acid, also known as alpha-ketoisovaleric acid, typically involves the condensation of alpha-ketoisocaproic acid with acetaldehyde. This reaction is commonly carried out using various chemical catalysts and under controlled conditions to ensure high yields and purity of the product. The resulting 3-Methyl-2-oxobutanoic acid can then be isolated and further purified for various industrial applications.

To procure and transport 3-Methyl-2-oxobutanoic acid, it is often obtained from chemical suppliers or manufacturers who specialize in organic acid production. The acid is usually available in liquid form or as a solid powder, depending on the specific requirements of the end-user. Transportation of this acid typically involves the use of specialized containers or tanks to ensure safe handling and delivery to the desired location.

Alternatively, 3-Methyl-2-oxobutanoic acid can also be produced on a smaller scale in research laboratories or academic settings using standard organic synthesis techniques. Researchers may choose to synthesize this compound for specific studies or experiments, utilizing the appropriate safety protocols and equipment to handle potentially hazardous chemicals. This approach allows for greater control over the synthesis process and the ability to customize the final product according to specific research needs.

⚠️ Safety Considerations

Safety Considerations for 3-Methyl-2-oxobutanoic acid: When handling 3-Methyl-2-oxobutanoic acid, it is important to wear appropriate personal protective equipment, including gloves, goggles, and a lab coat. It is also recommended to work in a fume hood to prevent inhalation of potentially harmful vapors. In case of skin contact, the affected area should be washed thoroughly with soap and water.

Pharmacology of 3-Methyl-2-oxobutanoic acid: 3-Methyl-2-oxobutanoic acid is a metabolite of the amino acid isoleucine and is involved in the leucine degradation pathway. It is a ketone body that can be used as an energy source by various tissues in the body, including the brain. 3-Methyl-2-oxobutanoic acid has also been studied for its potential role in certain disease states and metabolic disorders.

Hazard Statements for 3-Methyl-2-oxobutanoic acid: 3-Methyl-2-oxobutanoic acid may cause skin irritation and serious eye damage. It is harmful if swallowed or inhaled and may cause respiratory irritation. This substance should be handled with caution and stored in a tightly sealed container away from incompatible materials.

Precautionary Statements for 3-Methyl-2-oxobutanoic acid: It is recommended to wear protective gloves, clothing, and eye protection when working with 3-Methyl-2-oxobutanoic acid. Avoid breathing in vapors or dust, and wash hands thoroughly after handling. In case of a spill, neutralize with a suitable absorbent material and dispose of according to local regulations.

🔬 Potential Research Directions

One potential research direction for 3-Methyl-2-oxobutanoic acid involves its role in various metabolic pathways within the human body. Understanding how this compound is metabolized and its impact on overall health could lead to the development of new therapeutic interventions for metabolic disorders.

Another avenue of research could focus on the potential pharmaceutical applications of 3-Methyl-2-oxobutanoic acid. Investigating its interactions with other molecules and its ability to target specific biological pathways may uncover novel drug targets for treating diseases such as cancer or neurodegenerative disorders.

Furthermore, exploring the chemical reactivity and structural properties of 3-Methyl-2-oxobutanoic acid could provide valuable insights into its potential industrial applications. Studying its physical and chemical properties could lead to the development of new materials or processes in fields such as organic synthesis or biotechnology.

One similar compound to 3-Methyl-2-oxobutanoic acid is 3-Methyl-2-oxopentanoic acid. This compound also contains a four-carbon chain with a methyl group attached to the second carbon and a keto group attached to the second carbon. The only difference is the length of the carbon chain, which is one carbon longer in 3-Methyl-2-oxopentanoic acid compared to 3-Methyl-2-oxobutanoic acid.

Another similar compound is 3-Methyl-2-oxohexanoic acid. This compound shares the same structural features as 3-Methyl-2-oxobutanoic acid, with a four-carbon chain, a methyl group attached to the second carbon, and a keto group attached to the second carbon. The only distinction is that 3-Methyl-2-oxohexanoic acid has a carbon chain that is two carbons longer than 3-Methyl-2-oxobutanoic acid.

Additionally, 3-Methyl-2-oxoheptanoic acid is another compound similar to 3-Methyl-2-oxobutanoic acid. This compound exhibits a four-carbon chain, a methyl group attached to the second carbon, and a keto group attached to the second carbon, akin to 3-Methyl-2-oxobutanoic acid. The difference lies in the carbon chain length, as 3-Methyl-2-oxoheptanoic acid has a chain that is three carbons longer than 3-Methyl-2-oxobutanoic acid.

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