3-Phenylpropanoic acid

Basic Information

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CAS Number

501-52-0

Molecular Formula

C9H10O2

Molecular Weight

150.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

45-48 °C

Boiling Point

280 °C

Water Solubility

Soluble in water

Solubility

ethanol: soluble50mg/mL, clear, colorless to faintly yellow

Refractive Index

1.5408 (estimate)

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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OC(=O)CCc1ccccc1

InChI

InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

InChIKey

XMIIGOLPHOKFCH-UHFFFAOYSA-N

LogP

1.7038

pKa

4.66(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

126

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

Synonyms & References

English

3-Phenylpropanoic acid
3-Phenylpropionic acid (Hydrocinnamic acid)
3-Phenylpropionic acid
3-Phenylpropionate
Benzenepropanoic acid
beta-Phenylpropionic Acid
Hydrocinnamic Acid
HYDROCINNAMIC ACID(RG)
Benzenepropionic acid
Benzylacetic acid
β-Phenylpropionic acid
[ "3-Phenylpropanoic acid" ]
Dihydrocinnamic acid
Phenylpropanoic acid
3-Phenyl-propionic acid
Phenylpropanoate
3-Phenyl propionic acid
Phenylpropionic acid
PHENYL PROPIONIC ACID
FEMA No. 2889
Hydrocinnamic acid, 99%
3-Phenyl-n-propionic acid
.beta.-Phenylpropionic acid
Hydrocinnamic acid
beta-Phenylpropionic acid
3-phenylpropanoic acid

MDL Number

MFCD00002771

Customs Code

29163900

FAQ

What is 3-Phenylpropanoic acid (CAS: 501-52-0)?

3-Phenylpropanoic acid (CAS: 501-52-0) is an organic compound with the chemical formula C9H10O2. It is a white crystalline solid that is soluble in water and organic solvents. This compound is known for its carboxylic acid functionality and aromatic ring, making it useful in various chemical applications. It is commonly used as an intermediate in organic synthesis and has applications in pharmaceutical and industrial chemistry.

What are the main uses of 3-Phenylpropanoic acid (CAS: 501-52-0)?

3-Phenylpropanoic acid (CAS: 501-52-0) is primarily used in the pharmaceutical industry as a building block for drug development. It also serves as an intermediate in the synthesis of various organic compounds, including pesticides and dyes. In research settings, it is used for chemical modification and functional group analysis. Additionally, it may find applications in food additives and polymer science due to its versatile chemical structure.

Is 3-Phenylpropanoic acid (CAS: 501-52-0) safe?

3-Phenylpropanoic acid (CAS: 501-52-0) is generally considered safe when handled properly. However, it can cause skin and eye irritation, and inhalation of its vapors may be harmful. As with many chemical compounds, it is important to follow safety protocols, such as using personal protective equipment (PPE), working in a well-ventilated area, and adhering to OSHA and EPA guidelines. Proper training and handling are recommended to minimize risks.

How should 3-Phenylpropanoic acid (CAS: 501-52-0) be stored?

3-Phenylpropanoic acid (CAS: 501-52-0) should be stored in a cool, dry, and well-ventilated place, away from direct sunlight. It is best kept in a sealed container to prevent moisture absorption and contamination. Storage at temperatures below 25°C is recommended to maintain stability. Avoid exposure to strong oxidizing agents to ensure chemical integrity and safety.