3-methyl-2-oxobutanoate

3-methyl-2-oxobutanoate - Names and Identifiers

Name	3-Methyl-2-oxobutanoic acid, sodium salt
Synonyms	3-methyl-2-oxobutanoate sodium dimethyl pyruvate 3-methyl-2-oxobutanoic acid A-ketoisovaleric acid sodium SODIUM ALPHA-KETOISOVALERATE Sodium 3-methyl-2-oxobutyrate SODIUM 3-METHYL-2-OXOBUTYRATE sodium 3-methyl-2-oxobutanoate Sodium 3-methyl-2-oxobutanoate 3-methyl-2-oxobutyric acid sodium salt 3-Methyl-2-oxobutanoic acid sodium salt 2-Keto-3-methylbutyric acid sodium salt 3-Methyl-2-oxobutanoic acid, sodium salt
CAS	3715-29-5
EINECS	223-062-2
InChI	InChI=1/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)/p-1
InChIKey	WIQBZDCJCRFGKA-UHFFFAOYSA-M

3-methyl-2-oxobutanoate - Physico-chemical Properties

Molecular Formula	C5H7NaO3
Molar Mass	138.1
Melting Point	220-230 °C (dec.) (lit.)
Boling Point	170.2°C at 760 mmHg
Flash Point	71°C
JECFA Number	631.1
Solubility	water: soluble100mg/mL, clear, colorless
Vapor Presure	0.732mmHg at 25°C
Appearance	Crystalline Powder or Crystals
Color	White or slightly yellow to beige
BRN	4334552
Storage Condition	Inert atmosphere,Room Temperature

3-methyl-2-oxobutanoate - Risk and Safety

Safety Description	24/25 - Avoid contact with skin and eyes.
WGK Germany	3
HS Code	29183000

3-methyl-2-oxobutanoate - Introduction

3-Methyl-2-oxobutanoic acid, sodium salt, also known as sodium acetoacetate, is an organic compound with the chemical formula C5H7O3Na.

Nature:
3-Methyl-2-oxobutanoic acid, sodium salt is a colorless crystal or white crystalline powder with high solubility in water. It has a melting point of about 185-190°C. It is an acidic compound that can react with a base to form the corresponding salt.

Use:
3-Methyl-2-oxobutanoic acid, sodium salt is commonly used as pharmaceutical intermediates and raw materials for organic synthesis. It can be used in the synthesis of a variety of organic compounds, such as the preparation of ketones, carboxylic acids, etc.

Preparation Method:
3-Methyl-2-oxobutanoic acid, sodium salt can be prepared by esterification reaction and hydrolysis reaction. The specific preparation method can be the reaction of 3-methyl-2-oxobutanoic acid and alkali to obtain 3-Methyl-2-oxobutanoic acid, sodium salt.

Safety Information:
3-Methyl-2-oxobutanoic acid, sodium salt has low toxicity under general use conditions and will not cause obvious harm to the human body. However, as a chemical, it is still necessary to observe safe operating procedures, avoid direct contact with skin and eyes, and avoid inhalation or ingestion. Good ventilation conditions should be maintained during use. In case of contact with skin or eyes, rinse immediately with water and seek medical attention.

Last Update：2024-04-09 19:05:49