CAS 898778-35-3
:Ethyl 4-(1-methylethyl)-δ-oxobenzenepentanoate
Description:
Ethyl 4-(1-methylethyl)-δ-oxobenzenepentanoate, identified by its CAS number 898778-35-3, is an organic compound characterized by its ester functional group, which is typical of many compounds in the ester category. This substance features a complex structure that includes a benzene ring substituted with a ketone group and an ethyl ester moiety. The presence of the isopropyl group (1-methylethyl) contributes to its unique chemical properties, potentially influencing its reactivity and solubility. Ethyl esters are generally known for their pleasant odors and are often used in flavoring and fragrance applications. Additionally, the compound may exhibit moderate to low polarity due to the combination of hydrophobic hydrocarbon chains and polar functional groups. Its molecular structure suggests potential applications in organic synthesis, pharmaceuticals, or as intermediates in chemical reactions. However, specific physical properties such as boiling point, melting point, and solubility would require empirical data for precise characterization. Safety data should also be consulted to understand any hazards associated with handling this compound.
Formula:C16H22O3
InChI:InChI=1/C16H22O3/c1-4-19-16(18)7-5-6-15(17)14-10-8-13(9-11-14)12(2)3/h8-12H,4-7H2,1-3H3
InChI key:InChIKey=JTCMSPYHIQGPGZ-UHFFFAOYSA-N
SMILES:C(CCCC(OCC)=O)(=O)C1=CC=C(C(C)C)C=C1
Synonyms:- Ethyl 4-(1-methylethyl)-δ-oxobenzenepentanoate
- Benzenepentanoic acid, 4-(1-methylethyl)-δ-oxo-, ethyl ester
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