Butanoic acid, 4-(acetyloxy)-, ethyl ester


Chemical Name: Butanoic acid, 4-(acetyloxy)-, ethyl ester
CAS Number: 25560-91-2
Product Number: AG006U0Z(AGN-PC-0L9HA9)
Synonyms:
MDL No:
Molecular Formula: C8H14O4
Molecular Weight: 174.1944

Identification/Properties


Properties
BP:
105-108°C at 6mmHg.
Storage:
2-8℃;
Computed Properties
Molecular Weight:
174.196g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
174.089g/mol
Monoisotopic Mass:
174.089g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
153
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-(acetyloxy)butanoate, an ester compound, is a versatile chemical reagent widely used in organic synthesis processes. With its unique structure and properties, this compound serves as a key building block in the creation of various pharmaceuticals, flavors, and fragrances. In chemical synthesis, Ethyl 4-(acetyloxy)butanoate is prized for its ability to undergo diverse chemical transformations, making it a valuable asset in the development of new molecules and materials. Its ester functionality allows for selective reactions to occur, leading to the formation of complex molecular structures with high efficiency. The incorporation of Ethyl 4-(acetyloxy)butanoate in synthetic pathways enables chemists to access a range of compounds that exhibit desired biological activities or sensory properties. This compound plays a crucial role in the design and production of innovative substances, showcasing its importance in the field of organic chemistry.