3-Methyl-2-butenoic acid

Basic Information

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CAS Number

541-47-9

Molecular Formula

C5H8O2

Molecular Weight

100.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

Powder

Melting Point

67.0 to 70.0 deg-C

Boiling Point

98°C/20mmHg

Water Solubility

Soluble in water, and methanol.

Refractive Index

1.4226 (estimate)

SMILES

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CC(=CC(=O)O)C

InChI

InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)

InChIKey

YYPNJNDODFVZLE-UHFFFAOYSA-N

LogP

1.0372

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

98.6

Safety Information

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GHS Hazard Pictograms

H315

H318

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

3-Methylbut-2-enoic acid
3-Methyl-2-butenoic acid~3-Methylcrotonic acid
3-Methyl-2-butenoic acid
3-Methylcrotonic acid
3,3-Dimethylacrylic acid
Senecioic acid

MDL Number

MFCD00004366

Customs Code

2916190090

FAQ

What is 3-Methyl-2-butenoic acid (CAS: 541-47-9)?

3-Methyl-2-butenoic acid (CAS: 541-47-9) is an organic compound with the chemical formula C5H10O2. It is a colorless liquid with a characteristic odor and exhibits acidity due to the presence of a carboxylic acid group. This compound is also known as methyl crotonate and is commonly used in various chemical applications.

What are the main uses of 3-Methyl-2-butenoic acid (CAS: 541-47-9)?

3-Methyl-2-butenoic acid (CAS: 541-47-9) is used in pharmaceuticals as an intermediate in drug synthesis, in the food industry as a flavoring agent, and in research for organic synthesis and analytical chemistry. It also finds applications in the production of solvents and coatings due to its chemical reactivity and stability.

Is 3-Methyl-2-butenoic acid (CAS: 541-47-9) safe?

3-Methyl-2-butenoic acid (CAS: 541-47-9) is generally considered safe when handled properly. However, it may cause irritation to the skin, eyes, and respiratory system. Safety precautions include wearing protective gloves, goggles, and a lab coat, and ensuring proper ventilation. It should be stored away from heat and incompatible substances to maintain safety standards.

How should 3-Methyl-2-butenoic acid (CAS: 541-47-9) be stored?

3-Methyl-2-butenoic acid (CAS: 541-47-9) should be stored in a cool, dry, and well-ventilated area, away from direct light. It is best kept in a tightly sealed container made of glass or stainless steel to prevent contamination and degradation. Storage conditions should maintain temperatures below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.