Ethyl 2-Phenylacetoacetate

Basic Information

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CAS Number

5413-05-8

Molecular Formula

C12H14O3

Molecular Weight

206.24 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

140-144°C/10mm

Boiling Point

140-144°C 10mm

Flash Point

140-144°C/10mm

Refractive Index

1.5130

SMILES

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CCOC(=O)C(C1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3

InChIKey

PWRUKIPYVGHRFL-UHFFFAOYSA-N

LogP

1.9223

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

229

Synonyms & References

English

NSC-6389
Ethyl acetylphenylacetate
CS-0453527
3-oxo-2-phenyl-butyric acid ethyl ester
AKOS005207202
EINECS 226-500-0
alpha-phenylacetoacetic acid ethyl ester
AI3-18894
NS00043761
H11956
ethyl 3-oxo-2-phenylbutanoate
PWRUKIPYVGHRFL-UHFFFAOYSA-N
Benzeneacetic acid, alpha-acetyl-, ethyl ester
NSC 6389
5413-05-8
Ethyl 2-phenylacetoacetate
SCHEMBL583575
Ethyl a-acetylbenzeneacetate
2-phenylacetoacetic acid ethyl ester
NSC6389
BS-23548
A829978
SY106358
EN300-79428
MFCD00040490
3-(p-tolyl)-rhodanin
Ethyl 3-oxo-2-phenylbutanoate
2-Phenylacetoacetic acid ethyl ester
2-fenil-3-oxobutanoato di etile
3-oxo-2-phenylbutyric acid ethyl ester
ethyl 2-phenyl-3-oxobutanoate

MDL Number

MFCD00040490

Customs Code

2918300090

FAQ

What is Ethyl 2-Phenylacetoacetate (CAS: 5413-05-8)?

Ethyl 2-Phenylacetoacetate (CAS: 5413-05-8) is an organic compound with the molecular formula C9H10O3. It is a colorless to light yellow liquid with a phenylacetoacetate odor. This compound is used in the synthesis of various pharmaceuticals and as a fragrance ingredient in cosmetics. It is also utilized in the production of adhesives and coatings.

What are the main uses of Ethyl 2-Phenylacetoacetate (CAS: 5413-05-8)?

Ethyl 2-Phenylacetoacetate (CAS: 5413-05-8) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also used as a fragrance in cosmetics and in the production of adhesives and coatings. Due to its chemical properties, it is also employed in research for organic synthesis and as a precursor in various chemical reactions.

Is Ethyl 2-Phenylacetoacetate (CAS: 5413-05-8) safe?

Ethyl 2-Phenylacetoacetate (CAS: 5413-05-8) is generally considered safe for its intended uses, but proper handling and storage are necessary. It is important to avoid contact with eyes and skin, and to use appropriate personal protective equipment. The compound should be stored in a cool, dry place away from heat and direct sunlight to minimize degradation.

How should Ethyl 2-Phenylacetoacetate (CAS: 5413-05-8) be stored?

Ethyl 2-Phenylacetoacetate (CAS: 5413-05-8) should be stored in a tightly sealed container in a cool, dry place away from heat, moisture, and direct sunlight. It is best to keep it between 15-25°C (59-77°F) to prevent degradation. Ensure the storage area has good ventilation to avoid the accumulation of flammable vapors.