Description

Benzoic acid, 4-[2-(2-oxiranyl)ethoxy]-, 4-[2-(2-oxiranyl)ethoxy]phenyl ester (CAS No. 146063-25-4) is a high-purity synthetic compound with the molecular formula C₂₁H₂₂O₆. This specialized chemical features a unique structure containing two oxirane (epoxide) functional groups, making it highly reactive and valuable for advanced polymer synthesis and crosslinking applications. The compound is supplied as a white to off-white crystalline solid with a purity of ≥95% (HPLC). It is soluble in common organic solvents such as DMSO, THF, and dichloromethane but exhibits limited solubility in water. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability. This product is ideal for researchers working in materials science, polymer chemistry, and pharmaceutical development.

Key Specifications:
– Molecular Weight: 370.40 g/mol
– Melting Point: 85-90°C (lit.)
– Boiling Point: 550-552°C at 760 mmHg (predicted)
– Density: 1.28 g/cm³ (predicted)
– Refractive Index: 1.58 (predicted)

Properties

• CAS Number: 146063-25-4
• Complexity: 467
• IUPAC Name: [4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate
• InChI: InChI=1S/C21H22O6/c22-21(15-1-3-16(4-2-15)23-11-9-19-13-25-19)27-18-7-5-17(6-8-18)24-12-10-20-14-26-20/h1-8,19-20H,9-14H2
• InChI Key: PEUDQALZZZOUAG-UHFFFAOYSA-N
• Exact Mass: 370.14163842
• Molecular Formula: C21H22O6
• Molecular Weight: 370.4
• SMILES: C1C(O1)CCOC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCC4CO4
• Topological: 69.8
• Monoisotopic Mass: 370.14163842
• Synonyms: 146063-25-4, Benzoic acid, 4-[2-(2-oxiranyl)ethoxy]-, 4-[2-(2-oxiranyl)ethoxy]phenyl ester, [4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate, 4-[2-(oxiran-2-yl)ethoxy]phenyl 4-[2-(oxiran-2-yl)ethoxy]benzoate, 4-(2-(OXIRAN-2-YL)ETHOXY)PHENYL 4-(2-(OXIRAN-2-YL)ETHOXY)BENZOATE, SCHEMBL9611212, DTXSID90389558, STK012858, AKOS000508271, SR-01000316008, SR-01000316008-1

Application

This bifunctional epoxide compound is primarily used as a reactive intermediate in polymer chemistry for creating crosslinked networks in epoxy resins and other thermosetting materials. The dual oxirane groups enable efficient covalent bonding with nucleophiles such as amines, thiols, and hydroxyl groups, making it valuable for developing high-performance adhesives and coatings. Researchers also utilize this compound in pharmaceutical synthesis as a versatile building block for drug delivery systems and prodrug development.

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