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CAS 113100-81-5

:

4-(3-OXO-PROPYL)-BENZOIC ACID METHYL ESTER

Description:
4-(3-Oxo-propyl)-benzoic acid methyl ester, identified by its CAS number 113100-81-5, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzoic acid moiety substituted with a propanoyl group at the para position, contributing to its unique chemical properties. It is typically a colorless to pale yellow liquid or solid, depending on the specific conditions and purity. The presence of the carbonyl group in the propyl chain suggests potential reactivity, particularly in nucleophilic addition reactions. This compound may exhibit moderate solubility in organic solvents, while its solubility in water is likely limited due to the hydrophobic nature of the aromatic ring. Its applications may span various fields, including pharmaceuticals, agrochemicals, and materials science, where it can serve as an intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C11H12O3
InChI:InChI=1/C11H12O3/c1-14-11(13)10-6-4-9(5-7-10)3-2-8-12/h4-8H,2-3H2,1H3
SMILES:COC(=O)c1ccc(CCC=O)cc1
Synonyms:
  • Methyl 4-(3-Oxopropyl)Benzoate
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