4-Pentenoic acid

Basic Information

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CAS Number

591-80-0

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

Melting Point

−22.5 °C

Boiling Point

182°C

Water Solubility

Soluble in alcohol, Slightly soluble in water

Refractive Index

n20/D 1.428(lit.)

SMILES

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OC(=O)CCC=C

InChI

InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)

InChIKey

HVAMZGADVCBITI-UHFFFAOYSA-N

LogP

1.0372

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

76.1

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H290 May be corrosive to metals
Corrosive to Metals

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class 8 Class 8

Explosive Limit

1.58%(V)

Synonyms & References

English

Pent-4-enoic acid
Allylacetic acid
4-Pentenoic acid
3-Vinylpropionic Acid
Allylacetic Acid

MDL Number

MFCD00004408

Customs Code

29161980

FAQ

What is 4-Pentenoic acid (CAS: 591-80-0)?

4-Pentenoic acid, also known as 2-pentenoic acid, is a carboxylic acid with the chemical formula C5H8O2. It is a colorless solid with a pungent odor. The compound is soluble in water and ethanol, and it is primarily used in the pharmaceutical and chemical industries.

What are the main uses of 4-Pentenoic acid (CAS: 591-80-0)?

4-Pentenoic acid is mainly used as a chemical intermediate in the synthesis of various pharmaceuticals and agrochemicals. It is also used in the production of flavors and fragrances, and as a reagent in organic synthesis.

Is 4-Pentenoic acid (CAS: 591-80-0) safe?

4-Pentenoic acid is generally considered safe, but it can irritate the skin and eyes. Proper handling precautions include wearing gloves, goggles, and protective clothing. It should be stored in a cool, dry place, away from direct sunlight and heat sources. Follow safety standards and use in a well-ventilated area.

How should 4-Pentenoic acid (CAS: 591-80-0) be stored?

4-Pentenoic acid should be stored in a tightly sealed container in a cool, dry place, preferably below 25°C and away from direct sunlight. Keep it away from heat and sources of ignition. Avoid contact with moisture and high humidity to prevent degradation. Store in a secure location, away from incompatibles such as strong oxidizers.