CAS 117090-85-4
:Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester
Description:
Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester, also known by its CAS number 117090-85-4, is an organic compound characterized by its ester functional group derived from pentanoic acid and a ketone. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, which is common among esters. It is soluble in organic solvents and exhibits limited solubility in water due to its hydrophobic alkyl chains. The presence of the ketone group contributes to its reactivity, making it a potential intermediate in various organic synthesis processes. Its boiling point and melting point are influenced by the molecular structure, which includes a five-carbon chain and additional substituents. Pentanoic acid derivatives are often utilized in the production of flavors, fragrances, and as intermediates in pharmaceuticals. Safety data indicates that, like many organic compounds, it should be handled with care, as it may cause irritation upon contact with skin or eyes. Proper storage and handling protocols are essential to ensure safety and stability.
Formula:C9H16O3
InChI:InChI=1S/C9H16O3/c1-4-7(8(10)5-2)9(11)12-6-3/h7H,4-6H2,1-3H3
InChI key:InChIKey=MJPUHPKVTAZJOZ-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(C(CC)=O)CC
Synonyms:- Pentanoic acid, 2-ethyl-3-oxo-, ethyl ester
- Ethyl 2-ethyl-3-oxopentanoate
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