CAS 16537-10-3
:1,1-Dimethylethyl benzenepropanoate
Description:
1,1-Dimethylethyl benzenepropanoate, also known as tert-butyl benzenepropanoate, is an organic compound characterized by its ester functional group. It features a tert-butyl group attached to a benzene ring, which is further connected to a propanoate moiety. This structure imparts unique properties, such as moderate polarity and potential solubility in organic solvents. The compound is typically colorless to pale yellow in appearance and may have a pleasant, fruity odor, common to many esters. Its molecular structure suggests it may exhibit hydrophobic characteristics, making it less soluble in water. 1,1-Dimethylethyl benzenepropanoate is often utilized in the synthesis of various chemical intermediates and may find applications in the fragrance and flavor industry due to its aromatic properties. Safety data indicates that, like many organic compounds, it should be handled with care, as it may pose risks such as skin irritation or respiratory issues upon exposure. Proper storage and handling protocols are essential to ensure safety in laboratory and industrial settings.
Formula:C13H18O2
InChI:InChI=1S/C13H18O2/c1-13(2,3)15-12(14)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChI key:InChIKey=ZOJRGDRNISZTQS-UHFFFAOYSA-N
SMILES:C(CC(OC(C)(C)C)=O)C1=CC=CC=C1
Synonyms:- Benzenepropanoic acid, 1,1-dimethylethyl ester
- β-Phenylpropionic acid tert-butyl ester
- tert-Butyl hydrocinnamate
- 1,1-Dimethylethyl benzenepropanoate
- Hydrocinnamic acid, tert-butyl ester
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