Ethyl 3-oxo-4-phenylbutanoate

Basic Information

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CAS Number

718-08-1

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

Boiling Point

290.3°C at 760 mmHg

Density

1.091

Flash Point

124 ºC

Refractive Index

1.054-1.059

SMILES

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CCOC(=O)CC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C12H14O3/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChIKey

BOZNWXQZCYZCSH-UHFFFAOYSA-N

LogP

1.7514

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

217

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

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

Synonyms & References

English

SCHEMBL319873
SY041609
FT-0613319
NSC-15691
gamma-phenyl acetoacetic acid ethyl ester
Z839816996
A9385
gamma-Phenylacetoacetic acid ethyl ester
BOZNWXQZCYZCSH-UHFFFAOYSA-N
GS-3901
SB38435
Ethyl3-oxo-4-phenylbutanoate
ethyl 4-phenyl-3-oxobutyrate
J-521058
DTXSID40280147
ethyl 3-oxo-4-phenylbutanoate
ethyl 3-oxo-4-phenyl-butanoate
AM20041075
718-08-1
EN300-99190
CS-W018590
ETHYL 4-PHENYLACETOACETATE
Ethyl 3-oxo-4-phenylbutyrate
AKOS010951687
3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER
Benzenebutanoic acid,b-oxo-,ethyl ester
MFCD03844818
FT-0600129
NSC15691
3-Oxo-4-phenylbutyric acid ethyl ester
Ethyl 3-oxo-4-phenylbutanoate

MDL Number

MFCD03844818

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Ethyl 3-oxo-4-phenylbutanoate (CAS: 718-08-1)?

Ethyl 3-oxo-4-phenylbutanoate (CAS: 718-08-1) is a white crystalline solid with a molecular weight of approximately 224.31 g/mol. It is slightly soluble in water and readily soluble in organic solvents like ethanol and acetone. The compound is relatively stable, but it can undergo hydrolysis in the presence of strong acids or bases. It is also prone to oxidation under certain conditions.

How is Ethyl 3-oxo-4-phenylbutanoate (CAS: 718-08-1) typically synthesized?

Ethyl 3-oxo-4-phenylbutanoate (CAS: 718-08-1) is typically synthesized through a condensation reaction between ethyl 3-oxobutanoate and phenylmagnesium bromide, followed by acid-catalyzed dehydration. Commonly used catalysts include sulfuric acid or hydrochloric acid. The yield is generally around 70-80%, and the reaction is selective for the desired product.

What industries use Ethyl 3-oxo-4-phenylbutanoate (CAS: 718-08-1)?

Ethyl 3-oxo-4-phenylbutanoate (CAS: 718-08-1) is primarily used in the pharmaceutical industry for the synthesis of various drug molecules. It also finds applications in the polymer industry, where it serves as a monomer. Additionally, it is used in the production of sensors and semiconductors for its specific chemical properties.

What precautions should be taken when handling Ethyl 3-oxo-4-phenylbutanoate (CAS: 718-08-1)?

When handling Ethyl 3-oxo-4-phenylbutanoate (CAS: 718-08-1), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled with caution, using an appropriate absorbent material, and the area should be thoroughly cleaned. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.