CAS 10031-71-7

1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate

Description:

1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate, with the CAS number 10031-71-7, is an organic compound characterized by its ester functional group. This substance features a branched alkyl chain, which contributes to its unique properties. The presence of both dimethyl and phenyl groups indicates a degree of steric hindrance, potentially influencing its reactivity and solubility in various solvents. Typically, esters like this compound are known for their pleasant odors and are often used in flavoring and fragrance applications. The molecular structure suggests that it may exhibit moderate volatility and a relatively low boiling point compared to larger, more complex molecules. Additionally, the compound's hydrophobic characteristics may limit its solubility in water while enhancing its solubility in organic solvents. Its potential applications could span across fields such as organic synthesis, pharmaceuticals, and materials science, although specific uses would depend on further research into its reactivity and interactions with other chemical species.

Formula: C₁₅H₂₂O₂

InChI: InChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3

InChI key: InChIKey=WCEXWNUHYPYHDN-UHFFFAOYSA-N

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

Synonyms:

• Propanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester
• Isobutyric acid, 1,1-dimethyl-3-phenylpropyl ester
• 1,1-Dimethyl-3-phenylpropyl isobutyrate
• 1,1-Dimethyl-3-phenylpropyl 2-methylpropanoate