Benzoic acid, 4-ethoxy-, ethyl ester


Chemical Name: Benzoic acid, 4-ethoxy-, ethyl ester
CAS Number: 23676-09-7
Product Number: AG002O4N(AGN-PC-0JLYIQ)
Synonyms:
MDL No:
Molecular Formula: C11H14O3
Molecular Weight: 194.2271

Identification/Properties


Properties
MP:
9 °C
BP:
275°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.517-1.519
Computed Properties
Molecular Weight:
194.23g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
194.094g/mol
Monoisotopic Mass:
194.094g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
171
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Ethyl 4-ethoxybenzoate, also known as ethyl p-ethoxybenzoate, is a versatile compound that finds widespread application in chemical synthesis. This particular ester plays a crucial role in the production of various fragrances and flavors. Its distinct chemical structure imparts unique olfactory characteristics, making it a valuable ingredient in the fragrance industry. Additionally, ethyl 4-ethoxybenzoate serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. Its functional groups and reactivity make it a valuable building block for the creation of complex organic molecules with biological activity. Chemists often utilize this compound in the development of new drugs, pesticides, and herbicides due to its ability to introduce specific characteristics and functionalities into the final products.Furthermore, ethyl 4-ethoxybenzoate is employed in academic research and industrial processes as a model compound for studying ester hydrolysis reactions. By investigating the kinetics and mechanisms of its hydrolysis, scientists can gain valuable insights into the behavior of esters in various environmental conditions. This knowledge is essential for optimizing chemical reactions and designing more efficient synthetic routes in both laboratory and industrial settings.Overall, the application of Ethyl 4-ethoxybenzoate in chemical synthesis spans diverse fields, including fragrance production, pharmaceutical development, agrochemical synthesis, and research on ester hydrolysis. Its versatility and reactivity make it an invaluable component in the toolkit of synthetic chemists seeking to create innovative compounds with desired properties.