Ethyl 4-methylbenzoate

Basic Information

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CAS Number

94-08-6

Molecular Formula

C10H12O2

Molecular Weight

164.2 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

Basic Physical Properties

Melting Point

Not available

Boiling Point

232°C

Density

1.025 g/mL at 25 °C

Refractive Index

n20/D 1.508(lit.)

Vapor Pressure

0.0±0.4 mmHg at 25°C

SMILES

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O=C(OCC)C1=CC=C(C)C=C1

InChI

InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChIKey

NWPWRAWAUYIELB-UHFFFAOYSA-N

LogP

2.1717199999999997

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

146

Safety Information

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Hazard Statement

Synonyms & References

English

Ethyl 4-methylbenzoate
ETHYL 4-TOLUATE
ETHYL P-METHYLBENZOATE
ETHYL P-TOLUATE
4-METHYLBENZOIC ACID ETHYL ESTER
Benzoic acid, 4-methyl-, ethyl ester
p-Toluylic acid, ethyl ester
PTE-ESTER
4-Methylbenzoesaeureethylester
ETHYL-p-TOLUATE
p-Toluic acid ethyl ester
4-methyl-benzoic acid ethyl ester
ETHYL PARA TOLUATE
XUF0SQ8L2J
NWPWRAWAUYIELB-UHFFFAOYSA-N
Ethyl4-methylbenzoate
Ethyl P-methyl Benzoate
PubChem15489
Ethyl 4-methyl-benzoate.
4-Methylbenzoic acid ethyl
p-Toluic acid, ethyl ester
DSSTox_RID_82745
DSSTox_CID_28186
DSSTox_GSID_48211
p-Toluyli
ETHYL 4-METHYLBENZOATE
p-Toluic acid, ethyl ester (6CI, 7CI, 8CI)
4-Methyl-1-benzoic acid ethyl ester
4-Methylbenzoic acid ethyl ester
Ethyl p-methylbenzoate
Ethyl p-toluate

MDL Number

MFCD00009117

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Ethyl 4-methylbenzoate (CAS: 94-08-6)?

Ethyl 4-methylbenzoate (CAS: 94-08-6) is a colorless to light yellow liquid with a benzaldehyde-like odor. Its molecular weight is approximately 158.22 g/mol. It is slightly soluble in water but miscible with most organic solvents. Chemically, it is characterized by limited reactivity, being stable under normal conditions but sensitive to strong bases and reducing agents.

How is Ethyl 4-methylbenzoate (CAS: 94-08-6) typically synthesized?

Ethyl 4-methylbenzoate (CAS: 94-08-6) is commonly synthesized via the esterification of 4-methylbenzoic acid with ethanol. This process can be catalyzed by acids such as sulfuric acid. The reaction is typically carried out at elevated temperatures, and the product is isolated by distillation. The yield can be improved by using a zeolite catalyst, ensuring high selectivity and a high overall yield.

What industries use Ethyl 4-methylbenzoate (CAS: 94-08-6)?

Ethyl 4-methylbenzoate (CAS: 94-08-6) finds applications in various industries. It is used in the manufacture of perfumes and flavorings due to its pleasant scent. Additionally, it is employed in the preparation of synthetic resins and plasticizers. In the pharmaceutical industry, it serves as a raw material for certain chemical intermediates. It is also used in the development of sensors and as a solvent in some laboratory procedures.

What precautions should be taken when handling Ethyl 4-methylbenzoate (CAS: 94-08-6)?

When handling Ethyl 4-methylbenzoate (CAS: 94-08-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using absorbent materials, and the area should be thoroughly flushed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.