Ethyl 3-oxo-3-phenylpropanoate

Basic Information

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CAS Number

94-02-0

Molecular Formula

C11H12O3

Molecular Weight

192.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

< 0

Boiling Point

265-270 °C

Density

1.11 g/mL at 25 °C

Solubility

alcohol: miscible

Refractive Index

n20/D 1.52(lit.)<br />n20/D 1.531

SMILES

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CCOC(=O)CC(=O)c1ccccc1

InChI

InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

GKKZMYDNDDMXSE-UHFFFAOYSA-N

LogP

1.8225

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

205

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Light Sensitive

Synonyms & References

English

Ethyl 3-oxo-3-phenylpropanoate
Ethyl benzoylacetate,(Benzoylacetic acid ethyl ester)
Benzoylacetic acid ethyl ester
Ethyl Benzoylacetate
3-Oxo-3-pyridin-3-yl-propionic acid ethyl ester
3-phenyl-3-oxopropanoate
benzoylacetic ethyl ester
ethyl 3-oxo-3-phenylpropionate
ethyl 3-phenyl-3-oxopropionate
Ethyl benzovlacetate
ethyl2-benzoylacetate
Ethylbenzoylacetat
Ethylbeonzoyl acetate
FEMA 2423
phenylformyl acetic acid ethyl ester
3-Oxo-3-phenylpropionic Acid Ethyl Ester
Ethyl 3-phenyl-3-oxopropanoate
Ethyl benzoyl acetate
Ethyl beta-oxobenzenepropanoate
ethylbenzoylacetate
Benzoylacetic acid, ethyl ester
Acetic acid, benzoyl-, ethyl ester
Benzenepropanoic acid, beta-oxo-, ethyl ester
1-Ethoxy-3-phenylpropane-1,3-dione
FEMA No. 2423
K8CHJ4MKM0
Benzenepropanoic acid, .beta.-oxo-, ethyl ester
Acetic acid, benzoyl-, ethyl ester (6CI, 7CI, 8CI)
3-Oxo-3-phenylpropanoic acid ethyl ester
3-Oxo-3-phenylpropionic acid ethyl ester
3-Phenyl-3-oxopropanoic acid ethyl ester

MDL Number

MFCD00009196

Customs Code

29183000

FAQ

What is Ethyl 3-oxo-3-phenylpropanoate (CAS: 94-02-0)?

Ethyl 3-oxo-3-phenylpropanoate is an organic compound with the chemical formula C11H12O3. It is a derivative of propanoic acid, featuring a phenyl group and an ester functional group. This compound is known for its aromatic character and is commonly used in chemical synthesis. It has a melting point of approximately 67-69°C and is soluble in organic solvents such as ethanol and ether.

What are the main uses of Ethyl 3-oxo-3-phenylpropanoate (CAS: 94-02-0)?

Ethyl 3-oxo-3-phenylpropanoate is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of flavor and fragrance compounds, as well as in organic chemistry for various reactions. Its utility in research makes it a valuable intermediate in the production of bioactive molecules and specialty chemicals.

Is Ethyl 3-oxo-3-phenylpropanoate (CAS: 94-02-0) safe?

Ethyl 3-oxo-3-phenylpropanoate is generally considered safe when handled properly. However, it should be treated with caution due to its potential to cause skin and eye irritation. Protective measures such as gloves, goggles, and a well-ventilated workspace are recommended. It is not classified as highly toxic, but adherence to safety standards and proper disposal is essential for minimizing risks.

How should Ethyl 3-oxo-3-phenylpropanoate (CAS: 94-02-0) be stored?

Ethyl 3-oxo-3-phenylpropanoate should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is best kept in a sealed container to prevent moisture and contamination. Avoid exposure to air and light to maintain its stability and prevent degradation. Proper storage ensures the compound remains effective for its intended applications.