CAS 40291-39-2

Benzeneacetic acid, 2-methyl-, ethyl ester

Description:

Benzeneacetic acid, 2-methyl-, ethyl ester, also known by its CAS number 40291-39-2, is an organic compound characterized by its ester functional group derived from benzeneacetic acid and ethanol. This compound typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor. It is moderately soluble in water but more soluble in organic solvents such as ethanol and ether. The presence of both aromatic and aliphatic structures contributes to its chemical stability and reactivity. Benzeneacetic acid derivatives are often utilized in the synthesis of various pharmaceuticals, fragrances, and agrochemicals due to their biological activity and ability to act as intermediates in chemical reactions. Additionally, the compound may exhibit properties such as low volatility and moderate boiling points, making it suitable for applications in the chemical industry. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.

Formula: C₁₁H₁₄O₂

InChI: InChI=1S/C11H14O2/c1-3-13-11(12)8-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3

InChI key: InChIKey=HTDQOYWJDUMNHX-UHFFFAOYSA-N

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

Synonyms:

• Acetic acid, o-tolyl-, ethyl ester
• Benzeneacetic acid, 2-methyl-, ethyl ester
• Ethyl (2-Methylphenyl)Acetate
• Ethyl 2-methylbenzeneacetate
• NSC 78459
• o-Tolylacetic acid ethyl ester
• Ethyl o-tolylacetate

Ethyl 2-(o-tolyl)acetate

CAS: 40291-39-2

Formula: C₁₁H₁₄O₂

Purity: 96%

Color and Shape: Liquid

Molecular weight: 178.2277

Ref: IN-DA003QGA

Ethyl o-tolylacetate

CAS: 40291-39-2

Ethyl o-tolylacetate

Purity: 98%

Molecular weight: 178.23g/mol

Ref: 54-OR923556

Ethyl o-Tolylacetate

CAS: 40291-39-2

Formula: C₁₁H₁₄O₂

Purity: >97.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 178.23

Ref: 3B-T1225

Ethyl 2-tolylacetate

CAS: 40291-39-2

Ethyl 2-tolylacetate is a colorless liquid with a fruity odor. It is used as an intermediate in the synthesis of other organic compounds, such as pharmaceuticals and agrochemicals. This compound can be prepared by the reductive coupling of ethyl bromoacetate with toluene via palladium catalysis or by the cross-coupling of ethyl bromoacetate with 2-chloropropiophenone. The regiospecificity of this reaction was found to depend on the nature of the nucleophile and the boronic acid used in the reaction. Ethyl 2-tolylacetate is also used for peptide synthesis and as an ligand for sulphoxides.

Formula: C₁₁H₁₄O₂

Purity: Min. 95%

Color and Shape: Clear Liquid

Molecular weight: 178.23 g/mol

Ref: 3D-FE70962

Ethyl 2-(o-tolyl)acetate

CAS: 40291-39-2

Formula: C₁₁H₁₄O₂

Purity: 96%

Color and Shape: Liquid

Molecular weight: 178.231

Ref: 10-F242021