Ethyl 2-oxo-4-phenylbutyrate (>90%)

Basic Information

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CAS Number

64920-29-2

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

136°C/2mmHg

Density

1.091 g/mL at 25 °C

Refractive Index

n20/D 1.504(lit.)

SMILES

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CCOC(=O)C(=O)CCC1=CC=CC=C1

InChI

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

InChIKey

STPXIOGYOLJXMZ-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

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

Synonyms & References

English

DTXSID1057793
2-oxo-4-phenyl-butyric acid ethyl ester
SCHEMBL304796
EINECS 265-276-9
ethyl 2-keto-4-phenylbutyrate
2-keto-4-phenylbutyric acid ethyl ester
SR-01000944770-1
4-phenyl-2-oxobutyric acid ethyl ester
Ethyl 2-oxo-4-phenylbutanoate #
Ethyl 2-oxo-4-phenylbutyrate, purum, >=97.0% (GC)
DTXCID2031582
STPXIOGYOLJXMZ-UHFFFAOYSA-
Ethyl 2-oxo-4-phenylbutanoate
SB67345
AMY11114
A-Keto-phenylbutyric acid, ethyl ester
Ethyl 2-oxo-4-phenylbutyrate (93per cent)
AC-5142
InChI=1/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
UNII-5YNU9LPT51
ETHYL-2-OXO-4-PHENYLBUTYRATE
FT-0640980
AS-14138
NS00035760
Q-201080
2-oxo-4-phenyl butyric acid ethyl ester
Benzenebutanoic acid, .alpha.-oxo-, ethyl ester
A8839
2-oxo-4-phenylbutyric acid, ethyl ester
Ethyl 2-oxo-4-phenylbutyrate (>90%)

MDL Number

MFCD00037533

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Ethyl 2-oxo-4-phenylbutyrate (CAS: 64920-29-2)?

Ethyl 2-oxo-4-phenylbutyrate (CAS: 64920-29-2) is a crystalline solid with a molecular weight of approximately 228.3 g/mol. It has a pungent odor and is slightly soluble in water but highly soluble in organic solvents like ethanol and acetone. Chemically, it reacts readily with bases to form the corresponding salts. It is stable under normal conditions but should be stored away from strong acids and bases.

How is Ethyl 2-oxo-4-phenylbutyrate (CAS: 64920-29-2) typically synthesized?

Ethyl 2-oxo-4-phenylbutyrate (CAS: 64920-29-2) is typically synthesized via a multistep process, starting with phenylacetic acid and acetic anhydride. A suitable catalyst, such as p-toluenesulfonic acid, is used to facilitate the esterification reaction. The crude product is then purified using column chromatography or recrystallization. Yield can reach up to 85% with good selectivity.

What industries use Ethyl 2-oxo-4-phenylbutyrate (CAS: 64920-29-2)?

Ethyl 2-oxo-4-phenylbutyrate (CAS: 64920-29-2) is widely used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry as a monomer for the production of specialty polymers. Additionally, it finds applications in the sensor technology sector due to its reactivity and is sometimes employed in semiconductor manufacturing processes.

What precautions should be taken when handling Ethyl 2-oxo-4-phenylbutyrate (CAS: 64920-29-2)?

When handling Ethyl 2-oxo-4-phenylbutyrate (CAS: 64920-29-2), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be handled with proper absorbent material, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.