Description

Ethyl Diphenylacetate (CAS No. 3468-99-3) is a high-purity organic ester with the molecular formula C₁₆H₁₆O₂. This compound is widely utilized in pharmaceutical research, fragrance formulation, and organic synthesis due to its stable diphenylacetic acid ester structure. It is available in liquid form with a clear to pale yellow appearance and is characterized by its mild aromatic odor. Ethyl Diphenylacetate is synthesized under strict quality control to ensure >98% purity (HPLC/GC), making it ideal for sensitive applications in medicinal chemistry and material science. Suitable for laboratory-scale experiments or industrial-scale production, this ester is packaged under inert conditions to maintain stability and shelf life. Storage recommendations include keeping it in a cool, dry place away from direct sunlight and oxidizing agents.

Properties

• CAS Number: 3468-99-3
• Complexity: 232
• IUPAC Name: ethyl 2,2-diphenylacetate
• InChI: InChI=1S/C16H16O2/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
• InChI Key: PYPHPZOQIVEWHN-UHFFFAOYSA-N
• Exact Mass: 240.115029749
• Molecular Formula: C16H16O2
• Molecular Weight: 240.30
• SMILES: CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
• Topological: 26.3
• Monoisotopic Mass: 240.115029749
• Synonyms: Ethyl diphenylacetate, ethyl 2,2-diphenylacetate, 3468-99-3, Diphenylacetic acid ethyl ester, Acetic acid, diphenyl-, ethyl ester, NSC-17496, Diphenylacetic acid, ethyl ester, UNII-WQ89QF16O3, Diphenylacetic acid ethyl ester [MI], WQ89QF16O3, Benzeneacetic acid, alpha-phenyl-, ethyl ester, DTXSID80188234, Benzeneacetic acid, .alpha.-phenyl-, ethyl ester, DTXCID10110725, 641-540-2, pyphpzoqivewhn-uhfffaoysa-n, Benzeneacetic acid, a-phenyl-, ethyl ester, Diphenyl-acetic acid ethyl ester, ethyl (diphenyl)acetate, ethyl (diphenyl)-acetate, ethyl2,2-diphenylacetate, SCHEMBL2310025, SCHEMBL7956514, ALBB-023301, NSC17496, MFCD00026861, AKOS003242149, AC-18816, AS-65483, FE131195, DB-370187, CS-0187400, ST45024836, W18659, AE-641/01931059, SR-01000195349, SR-01000195349-1, Q27292775

Ethyl Diphenylacetate serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and fine chemicals. It is commonly employed as a precursor for antispasmodic and CNS-acting drugs due to its diphenyl moiety. In fragrance applications, it contributes to long-lasting floral and fruity notes. Researchers also utilize it in polymer science as a plasticizer or monomer modifier. Its ester functionality makes it valuable in coupling reactions and esterification studies.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

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