2-Methylbutanoic acid

Basic Information

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CAS Number

116-53-0

Molecular Formula

C5H10O2

Molecular Weight

102.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

-70 ºC

Boiling Point

176-177 °C

Water Solubility

45 g/L (20 ºC)

Solubility

20g/l

Refractive Index

n20/D 1.405(lit.)

Vapor Pressure

0.5 mmHg ( 20 °C)

SMILES

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CCC(C)C(=O)O

InChI

InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

InChIKey

WLAMNBDJUVNPJU-UHFFFAOYSA-N

LogP

1.1171

pKa

4.8(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

68.5

Safety Information

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GHS Hazard Pictograms

H302

H312

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Explosive Limit

1.6-7.3%(V)

Synonyms & References

English

2-Methylbutanoic acid
(+/-)-2-Methylbutyric acid
Natural 2-Methyl Butyric Acid
2-METHYLBUTYRIC ACID
D-2-methyl butyric acid
DL-2-Methylbutyric A
DL-2-Methylbutyric Acid
2-Methybutyric acid
Active valeric acid
Butyric acid, 2-methyl-
Ethylmethylacetic acid
Methylethylacetic acid
NSC 7304
α-Methylbutyric acid
FEMA 2695
2-Methylbutyri
2-methylbutyric
2-methylbutyrate
Hydroangelic acid
CARBOXYLIC ACID C5
RARECHEM AL BO 0094
2-Methyl butyric acid
activevalericacid
2-methylbutanoic acid

MDL Number

MFCD00002669

Customs Code

29156090

FAQ

What is 2-Methylbutanoic acid (CAS: 116-53-0)?

2-Methylbutanoic acid, also known as isovaleric acid, is a carboxylic acid with the chemical formula C5H10O2. It is a colorless liquid with a strong, unpleasant odor and is commonly used in various chemical applications. This compound is soluble in water and organic solvents, and it exhibits acidic properties due to its carboxyl group.

What are the main uses of 2-Methylbutanoic acid (CAS: 116-53-0)?

2-Methylbutanoic acid is widely used in the pharmaceutical industry for the synthesis of drugs and as a flavoring agent in food products. It also serves as an intermediate in the production of perfumes, plastics, and coatings. In research, it is employed as a reagent in organic synthesis and for studying metabolic pathways. Additionally, it has applications in the fragrance industry due to its distinctive odor profile.

Is 2-Methylbutanoic acid (CAS: 116-53-0) safe?

2-Methylbutanoic acid is generally considered safe when handled properly, but it can cause skin and eye irritation. Inhalation of its vapors may lead to respiratory issues. It is classified as a potential irritant and should be used with appropriate protective measures such as gloves, goggles, and ventilation. Safety standards recommend following OSHA and EPA guidelines for safe handling and disposal.

How should 2-Methylbutanoic acid (CAS: 116-53-0) be stored?

2-Methylbutanoic acid should be stored in a cool, dry, and well-ventilated area, away from direct sunlight. It is best kept in a sealed container made of glass or high-density polyethylene to prevent contamination and degradation. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.