CAS 31508-44-8

Methyl α-methylbenzeneacetate

Description:

Methyl α-methylbenzeneacetate, also known as methyl 2-methylphenylacetate, is an organic compound characterized by its ester functional group. It is derived from the reaction of α-methylbenzeneacetic acid and methanol. This compound typically appears as a colorless to pale yellow liquid with a pleasant, fruity aroma, making it useful in the fragrance and flavoring industries. Its molecular structure features a methyl group attached to the aromatic ring, which influences its chemical properties and reactivity. Methyl α-methylbenzeneacetate is generally soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. It is stable under normal conditions but may undergo hydrolysis in the presence of strong acids or bases. Safety data indicates that, like many esters, it should be handled with care, as it may cause irritation to the skin and eyes. Overall, this compound is of interest for its applications in synthetic organic chemistry and its potential use in various industrial applications.

Formula: C₁₀H₁₂O₂

InChI: InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3

InChI key: InChIKey=DZIQUZJSNSZOCH-UHFFFAOYSA-N

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

Synonyms:

• (±)-2-Phenylpropionic acid methyl ester
• 2-Phenylpropanoic acid methyl ester
• Ai3-07002
• Benzeneacetic acid, alpha-methyl-, methyl ester
• Benzeneacetic acid, α-methyl-, methyl ester
• Hydratropic acid, methyl ester
• Methyl (±)-hydratropate
• Methyl 2-Phenylpropanoate
• Methyl 2-methyl-2-phenylacetate
• Methyl α-methylbenzeneacetate
• Methyl α-methylphenylacetate
• Methyl α-phenylpropionate
• Α-Methylbenzeneacetic Acid Methyl Ester

Methyl 2-phenylpropanoate

CAS: 31508-44-8

Methyl 2-phenylpropanoate

Formula: C₁₀H₁₂O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 164.20108

Ref: 54-OR955461

Methyl 2-Phenylpropanoate

CAS: 31508-44-8

Formula: C₁₀H₁₂O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 164.2011

Ref: IN-DA00C6SC

Methyl 2-phenylpropanoate

CAS: 31508-44-8

Methyl 2-phenylpropanoate

Formula: C₁₀H₁₂O₂

Purity: 98%

Molecular weight: 164.2

Ref: IN-DG266278

2-phenylpropanoic acid methyl ester

CAS: 31508-44-8

Formula: C₁₀H₁₂O₂

Purity: 95%

Color and Shape: Liquid

Molecular weight: 164.204

Ref: 10-F246440

Methyl 2-phenylpropanoate

CAS: 31508-44-8

Methyl 2-phenylpropanoate is the product of a lipase-catalyzed reaction between methanol and phenylacetic acid. The hydrolysis of the ester bond releases methanol, which can then react with another molecule of phenylacetic acid to form methyl 2-phenylpropanoate. Methyl 2-phenylpropanoate is a key intermediate in the synthesis of beta blockers, such as propranolol. It can also be used as an alternative to cyclopentane for synthesizing stereoisomers of cyclohexane. The reaction mechanism involves an activation energy that is kinetically favorable and has an asymmetric synthesis. The stereoselectivity of this reaction is due to the use of an acid catalyst and a chiral ligand.

Formula: C₁₀H₁₂O₂

Purity: Min. 95%

Molecular weight: 164.2 g/mol

Ref: 3D-GBA50844