Ethyl 3-methylbenzoate

Basic Information

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CAS Number

120-33-2

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

Boiling Point

110 °C/20 mmHg

Refractive Index

n20/D 1.506(lit.)

SMILES

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

InChI

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

InChIKey

WSJNYOVBJSOQST-UHFFFAOYSA-N

LogP

2.1717200000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

154

Synonyms & References

English

H3AK4M7DH5
Ethyl 3-methylbenzoate
3-Methylbenzoic acid ethyl ester
BS-20053
NSC-20009
UNII-H3AK4M7DH5
s12346
A804489
NSC 20009
NSC20009
120-33-2
MFCD00009114
Ethyl3-methylbenzoate
SCHEMBL570920
J-004315
Benzoic acid, 3-methyl-, ethyl ester
m-Toluic acid, ethyl ester
NS00023912
ETHYLM-TOLUATE
Ethyl m-toluate, 99%
Ethyl-3-methylbenzoate
AC-20571
Ethyl m-toluate
DTXSID70152641
FT-0626208
AKOS008948084
EINECS 204-386-3
3-Methyl-benzoic acid ethyl ester
m-Toluylic acid, ethyl ester
CS-0169763
Ethyl m-methylbenzoate

MDL Number

MFCD00009114

Customs Code

2942000000

FAQ

What are the physical and chemical properties of Ethyl 3-methylbenzoate (CAS: 120-33-2)?

Ethyl 3-methylbenzoate (CAS: 120-33-2) is a colorless to light yellow liquid with a melting point of approximately 52-53°C and a boiling point of around 236°C. Its molecular weight is 164.21 g/mol. It is slightly soluble in water but readily soluble in organic solvents like ethanol, acetone, and dichloromethane. The compound is relatively stable but can react with strong acids and bases to form benzoic acid or esters.

How is Ethyl 3-methylbenzoate (CAS: 120-33-2) typically synthesized?

Ethyl 3-methylbenzoate (CAS: 120-33-2) is commonly synthesized via an esterification reaction between 3-methylbenzoic acid and ethanol in the presence of a catalyst such as sulfuric acid. The process involves heating the reactants to promote the formation of the ester bond, with typical yields ranging from 75-85%. This method ensures high selectivity and purity of the product.

What industries use Ethyl 3-methylbenzoate (CAS: 120-33-2)?

Ethyl 3-methylbenzoate (CAS: 120-33-2) is widely used in various industries. It is a key component in the formulation of fragrances and flavors in the perfume and food industries. Additionally, it is utilized in the pharmaceutical sector as a raw material for certain drugs. In the polymer industry, it serves as a plasticizer, and in sensor and semiconductor applications, it can be used as a solubilizing agent.

What precautions should be taken when handling Ethyl 3-methylbenzoate (CAS: 120-33-2)?

When handling Ethyl 3-methylbenzoate (CAS: 120-33-2), it is essential to follow safety guidelines. Always wear appropriate personal protective equipment (PPE), including gloves and safety glasses. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use appropriate spill kits to contain and clean up the substance. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.