CAS 81576-57-0

Methyl (αR)-α-methyl-4-(2-methylpropyl)benzeneacetate

Description:

Methyl (αR)-α-methyl-4-(2-methylpropyl)benzeneacetate, with the CAS number 81576-57-0, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol and a carboxylic acid. This compound features a complex structure that includes a benzene ring substituted with both a methyl group and a branched alkyl chain, contributing to its hydrophobic nature. It is typically a colorless to pale yellow liquid with a pleasant aroma, making it potentially useful in flavor and fragrance applications. The presence of the methyl and isopropyl groups enhances its volatility and solubility in organic solvents. In terms of stability, it is generally stable under standard conditions but may be sensitive to extreme temperatures or reactive agents. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if ingested or inhaled. Overall, this compound exemplifies the diversity of organic chemistry and its applications in various industries.

Formula: C₁₄H₂₀O₂

InChI: InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3/t11-/m1/s1

InChI key: InChIKey=YNZYUHPFNYBBFF-LLVKDONJSA-N

SMILES: [C@@H](C(OC)=O)(C)C1=CC=C(CC(C)C)C=C1

Synonyms:

• Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, methyl ester, (αR)-
• Methyl (R)-2-[4-(isobutylphenyl)propanoate
• Methyl (αR)-α-methyl-4-(2-methylpropyl)benzeneacetate
• Methyl (-)-2-(4-isobutylphenyl)propionate
• Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, methyl ester, (R)-