4-Vinylbenzyl Acetate
[CAS# 1592-12-7]

Identification

• Classification: Chemical reagent >> Organic reagent >> Ester >> Acid ester compound
• Name: 4-Vinylbenzyl Acetate
• Synonyms: (4-Vinylphenyl)Methyl Acetate; Acetic Acid (4-Vinylphenyl)Methyl Ester; Acetic Acid (4-Vinylbenzyl) Ester
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.21
• CAS Registry Number: 1592-12-7
• SMILES: C1=C(C=CC(=C1)C=C)COC(C)=O
• InChI: 1S/C11H12O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h3-7H,1,8H2,2H3
• InChIKey: LEIKPUSDAWATBV-UHFFFAOYSA-N

Properties

• Density: 1.048g/cm³ (Cal.)
• Boiling point: 252.338°C at 760 mmHg (Cal.)
• Flash point: 110.707°C (Cal.)

References

• (1): Over et al.. Natural-product-derived fragments for fragment-based ligand discovery, Nature Chemistry, 2012