Description

Ethyl 2-Phenylbutanoate (CAS No. 119-43-7) is a high-purity ester compound with the molecular formula C₁₂H₁₆O₂, widely used in organic synthesis, fragrance formulation, and pharmaceutical research. This clear, colorless to pale yellow liquid exhibits a fruity, floral aroma, making it valuable in perfumery and flavoring applications. Its IUPAC name, ethyl 2-phenylbutanoate, reflects its structural composition as an ethyl ester derivative of 2-phenylbutyric acid. With a molecular weight of 192.26 g/mol, it is characterized by excellent solubility in organic solvents like ethanol and diethyl ether, while being immiscible in water. Suitable for GC-MS, HPLC, and NMR analysis, this compound is rigorously tested to meet ≥98% purity standards, ensuring consistency for laboratory and industrial use. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 119-43-7
• Complexity: 171
• IUPAC Name: ethyl 2-phenylbutanoate
• InChI: InChI=1S/C12H16O2/c1-3-11(12(13)14-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
• InChI Key: CLLUFLLBRNCOLB-UHFFFAOYSA-N
• Exact Mass: 192.115029749
• Molecular Formula: C12H16O2
• Molecular Weight: 192.25
• SMILES: CCC(C1=CC=CC=C1)C(=O)OCC
• Topological: 26.3
• Monoisotopic Mass: 192.115029749
• Synonyms: 119-43-7, 2-Phenylbutyric acid, ethyl ester, Benzeneacetic acid, .alpha.-ethyl-, ethyl ester, Ethyl alpha-phenylbutyrate, Butyric acid, 2-phenyl-, ethyl ester, EINECS 204-324-5, NSC 30680, AI3-05890, Benzeneacetic acid, alpha-ethyl-, ethyl ester, DTXSID80861752, DTXCID90810635, Butyric acid, 2-phenyl-, ethyl ester (8CI), Ethyl 2-phenylbutanoate, Ethyl 2-phenylbutyrate, Ethyl .alpha.-phenylbutyrate, MFCD00068988, SCHEMBL260296, phenyl-butyric acid ethyl ester, SCHEMBL5817848, DL-ETHYL 2-PHENYLBUTYRATE, 2-phenyl-butyric acid ethyl ester, NSC30680, NSC-30680, AKOS008948046, CS-W015806, FE41789, BS-48991, NS00041417, E75821

Application

Ethyl 2-Phenylbutanoate serves as a key intermediate in the synthesis of fine chemicals and active pharmaceutical ingredients (APIs). It is extensively utilized in the fragrance industry for creating fruity and floral scent profiles in perfumes, soaps, and cosmetics. Researchers also employ this ester as a flavoring agent in food science due to its pleasant aromatic properties. Additionally, it finds application in organic catalysis and as a building block for more complex ester derivatives in material science.

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