Sodium 4-methyl-2-oxopentanoate

Basic Information

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CAS Number

4502-00-5

Molecular Formula

C6H9NaO3

Molecular Weight

152.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

275 °C (dec.)

Boiling Point

190.5°C at 760 mmHg

Flash Point

83.3 °C

Refractive Index

1.44

SMILES

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CC(C)CC(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C6H10O3.Na/c1-4(2)3-5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1

InChIKey

IXFAZKRLPPMQEO-UHFFFAOYSA-M

LogP

-0.64850

Complexity

131

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

MFCD00064193
sodium 4-methyl-2-oxopentanoate
UNII-815X976CPY
HMS2233D10
IXFAZKRLPPMQEO-UHFFFAOYSA-M
FT-0635329
4-Methyl-2-oxopentanoic acid sodium salt
AKOS024462567
MLS001333649
Sodium 4-methyl-2-oxovalerate
EINECS 224-816-3
EN300-220925
A826704
4-Methyl-2-oxovaleric acid sodium salt
CHEMBL2142054
2-Ketoisocaproic Acid Sodium Salt
sodium;4-methyl-2-oxopentanoate
SMR000875302
Q27269215
HMS3372L01
MLS001333650
Ketoleucine sodium salt
4502-00-5
815X976CPY
AS-15036
NS00082421
s10401
SCHEMBL1532427
PENTANOIC ACID, 4-METHYL-2-OXO-, SODIUM SALT (1:1)
2-Ketoisocaproic acid, sodium salt
Sodium 2-Ketoisocaproate

MDL Number

MFCD00064193

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Sodium 4-methyl-2-oxopentanoate (CAS: 4502-00-5)?

Sodium 4-methyl-2-oxopentanoate (CAS: 4502-00-5) is a solid with a crystalline form. Its molecular weight is approximately 168.23 g/mol. It has a solubility of about 1.4 g/100 mL in water. The compound is reactive due to its carboxylic acid functionality, making it susceptible to hydrolysis under basic conditions. It is also sensitive to light and air oxidation.

How is Sodium 4-methyl-2-oxopentanoate (CAS: 4502-00-5) typically synthesized?

Sodium 4-methyl-2-oxopentanoate (CAS: 4502-00-5) is typically synthesized via the reaction of 4-methyl-2-oxopentanoic acid with sodium hydroxide. This process involves esterification followed by saponification. The key steps include esterifying the acid with ethanol to form the ester, then treating the ester with sodium hydroxide to produce the sodium salt. Catalysts such as sodium ethoxide are often used to improve the selectivity and yield of the reaction.

What industries use Sodium 4-methyl-2-oxopentanoate (CAS: 4502-00-5)?

Sodium 4-methyl-2-oxopentanoate (CAS: 4502-00-5) is used in various industries. It serves as an intermediate in the production of pharmaceuticals, where its carboxylic acid functionality can be utilized for drug synthesis. It is also used in the polymer industry for the preparation of functionalized polymers and in the sensor industry for its ability to act as a chemical sensor due to its reactivity with various analytes.

What precautions should be taken when handling Sodium 4-methyl-2-oxopentanoate (CAS: 4502-00-5)?

When handling Sodium 4-methyl-2-oxopentanoate (CAS: 4502-00-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The substance should be used in a well-ventilated area or under a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed instructions and emergency procedures.