Ethyl 3-phenylpropanoate | CAS No. 2021-28-5

Q: What are the physical and chemical properties of Ethyl 3-phenylpropanoate (CAS: 2021-28-5)?

Ethyl 3-phenylpropanoate (CAS: 2021-28-5) is a colorless to light yellow liquid with a molecular weight of approximately 184.26 g/mol. It has a high solubility in organic solvents but is practically insoluble in water. Chemically, it is relatively stable but can react with strong nucleophiles. It has a melting point of -25°C and a boiling point of 138-139°C. This compound is also known for its pleasant aroma, making it useful in fragrances.

Q: How is Ethyl 3-phenylpropanoate (CAS: 2021-28-5) typically synthesized?

Ethyl 3-phenylpropanoate can be synthesized via an esterification reaction between phenylpropanol and ethyl acetate. Commonly, this reaction is catalyzed by sulfuric acid under reflux conditions. The process involves heating the mixture until the esterification is complete, followed by distillation to separate the product. The yield can be around 70-80% depending on the reaction conditions and purity of starting materials.

Q: What industries use Ethyl 3-phenylpropanoate (CAS: 2021-28-5)?

Ethyl 3-phenylpropanoate (CAS: 2021-28-5) is primarily used in the flavor and fragrance industry due to its pleasant aroma. It is also applied in the agrochemical industry as a precursor for the synthesis of certain herbicides. Additionally, it is utilized in the pharmaceutical industry for the production of certain drugs. In the cosmetic industry, it serves as a flavoring agent and a synthetic musk.

Q: What precautions should be taken when handling Ethyl 3-phenylpropanoate (CAS: 2021-28-5)?

When handling Ethyl 3-phenylpropanoate (CAS: 2021-28-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be handled in a well-ventilated area or under a fume hood to avoid inhalation of vapors. Spills should be cleaned up immediately with appropriate absorbents, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed information on storage, handling, and emergency procedures.

Ethyl 3-phenylpropanoate

Basic Information

View in Editor

CAS Number

2021-28-5

Molecular Formula

C11H14O2

Molecular Weight

178.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

248°C

Water Solubility

<0.1 g/100 mL at 25 ºC

Refractive Index

n20/D 1.494(lit.)

SMILES

View in Editor

CCOC(=O)CCc1ccccc1

InChI

InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChIKey

JAGZUIGGHGTFHO-UHFFFAOYSA-N

LogP

2.1822999999999997

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

148

Synonyms & References

English

Ethyl 3-phenylpropanoate
3-Phenylpropionic Acid Ethyl Ester
Ethyl hydrocinnamate~3-Phenylpropionic acid ethyl ester
Ethyl 3-phenylpropionate
HYDROCINNAMIC ACID ETHYL ESTER(RG)
Hydrocinnamic acid ethylester
Benzenepropanoic acid,ethyl ester
Ethyl 3-phenylpropionate,Ethyl hydrocinnamate
ethyl benzenepropanoate
ethyl benzenepropionate
ethyl dihydrocinnamate
Ethyl fluoroacetate
Ethyl hydrocinnamate
Ethylhydrocinnamoate
Benzenepropanoic acid, ethyl ester
Hydrocinnamic acid, ethyl ester
Ethylphenyl propanoate
JAGZUIGGHGTFHO-UHFFFAOYSA-N
58E9Z9V64D
Hydrocinnamic acid, ethyl ester (8CI)
FEMA No. 2455
ethylhydrocinnamate
ethyl benzylacetate
ethyl 3phenylpropionate
ethyl B-phenyl
Ethyl Hydrocinnamate
3-Phenylpropionic acid ethyl ester

MDL Number

MFCD00009206

Customs Code

29163900

FAQ

What are the physical and chemical properties of Ethyl 3-phenylpropanoate (CAS: 2021-28-5)?

Ethyl 3-phenylpropanoate (CAS: 2021-28-5) is a colorless to light yellow liquid with a molecular weight of approximately 184.26 g/mol. It has a high solubility in organic solvents but is practically insoluble in water. Chemically, it is relatively stable but can react with strong nucleophiles. It has a melting point of -25°C and a boiling point of 138-139°C. This compound is also known for its pleasant aroma, making it useful in fragrances.

How is Ethyl 3-phenylpropanoate (CAS: 2021-28-5) typically synthesized?

Ethyl 3-phenylpropanoate can be synthesized via an esterification reaction between phenylpropanol and ethyl acetate. Commonly, this reaction is catalyzed by sulfuric acid under reflux conditions. The process involves heating the mixture until the esterification is complete, followed by distillation to separate the product. The yield can be around 70-80% depending on the reaction conditions and purity of starting materials.

What industries use Ethyl 3-phenylpropanoate (CAS: 2021-28-5)?

Ethyl 3-phenylpropanoate (CAS: 2021-28-5) is primarily used in the flavor and fragrance industry due to its pleasant aroma. It is also applied in the agrochemical industry as a precursor for the synthesis of certain herbicides. Additionally, it is utilized in the pharmaceutical industry for the production of certain drugs. In the cosmetic industry, it serves as a flavoring agent and a synthetic musk.

What precautions should be taken when handling Ethyl 3-phenylpropanoate (CAS: 2021-28-5)?

When handling Ethyl 3-phenylpropanoate (CAS: 2021-28-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be handled in a well-ventilated area or under a fume hood to avoid inhalation of vapors. Spills should be cleaned up immediately with appropriate absorbents, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed information on storage, handling, and emergency procedures.