3-Methyl-2-oxobutanoic acid

Basic Information

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CAS Number

759-05-7

Molecular Formula

C5H8O3

Molecular Weight

116.12 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

31.5 ºC

Boiling Point

170.5 ºC

Density

1.125±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

71.0±15.2 ºC,

Refractive Index

1.3850

SMILES

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CC(C)C(=O)C(=O)O

InChI

InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)

InChIKey

QHKABHOOEWYVLI-UHFFFAOYSA-N

LogP

0.2961

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

115

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

3-Methyl-2-oxobutanoic acid
3-Methyl-2-oxo-butanoic Acid
3-METHYL-2-OXOBUTYRIC ACID
Butanoic acid,3-methyl-2-oxo-
alpha-keto-Isovaleric acid
alpha-keto-beta-Methylbutyric acid
alpha-Ketoisovalerate
alpha-Ketoisovaleric acid
2-Ketoisovaleric acid
alpha-ketovaline
2-oxoisovalerate
Butanoic acid, 3-methyl-2-oxo-
2-Oxoisovaleric acid
2-ketovaline
3-methyl-2-oxobutanoate
2-keto-3-methylbutyric acid
2-oxo-3-methylbutanoate
2-oxoisopentanoate
alpha-oxoisovalerate
Dimethylpyruvic acid
a-ketoisovaleric acid
KETOVALINE
Isopropylglyoxylic acid
2-Oxo-3-methylbut

MDL Number

MFCD00040427

Customs Code

2918300090

FAQ

What is 3-Methyl-2-oxobutanoic acid (CAS: 759-05-7)?

3-Methyl-2-oxobutanoic acid, also known as 3-Methylbutanoylchloride, is a chemical compound with the CAS number 759-05-7. It is a colorless liquid with a pungent odor. The compound is characterized by its molecular formula C5H8O2 and is used in various applications including pharmaceuticals, cosmetics, and research.

What are the main uses of 3-Methyl-2-oxobutanoic acid (CAS: 759-05-7)?

3-Methyl-2-oxobutanoic acid is widely used in pharmaceuticals for the synthesis of active pharmaceutical ingredients (APIs). It is also utilized in cosmetics as a fragrance and skin care ingredient. Additionally, it serves as a reagent in research for organic synthesis and analytical chemistry.

Is 3-Methyl-2-oxobutanoic acid (CAS: 759-05-7) safe?

3-Methyl-2-oxobutanoic acid is generally considered safe for industrial use when handled with appropriate precautions. However, it is corrosive and can cause skin and eye irritation. Protective measures such as gloves, goggles, and proper ventilation should be taken during handling. It is important to follow safety data sheet (SDS) guidelines for safe use.

How should 3-Methyl-2-oxobutanoic acid (CAS: 759-05-7) be stored?

3-Methyl-2-oxobutanoic acid should be stored in a cool, dry place away from direct sunlight and heat sources. The container should be tightly sealed to prevent evaporation and contamination. It should be stored in an airtight container made of appropriate material to minimize exposure to air and moisture. Refrigeration is not typically necessary but can be considered for longer storage periods.