Phenylmethyl 2,2-Dimethylpropanoate
[CAS# 2094-69-1]

Identification

• Name: Phenylmethyl 2,2-Dimethylpropanoate
• Synonyms: 2,2-Dimethylpropanoic Acid Phenylmethyl Ester; 2,2-Dimethylpropionic Acid Benzyl Ester; Benzyl 2,2-Dimethylpropionate
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.26
• CAS Registry Number: 2094-69-1
• EINECS: 218-251-1
• SMILES: C1=CC=C(C=C1)COC(=O)C(C)(C)C
• InChI: 1S/C12H16O2/c1-12(2,3)11(13)14-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
• InChIKey: QCFKLVCBTZKWGY-UHFFFAOYSA-N

Properties

• Density: 1.002g/cm³ (Cal.)
• Boiling point: 248.258°C at 760 mmHg (Cal.)
• Flash point: 94.899°C (Cal.)

References

• (1): Ron W. Darbeau, Rebekah E. Gibble, Rebecca S. Pease, Davin E. Bridges, Luis M. Siso and Derrill J. Heurtin. The Darbeau–White–Gibble reaction: an N-nitrosoamide-mediated Ritter-type reaction. Part I. A study of electronic, steric, and orbital effects in the nucleophile, J. Chem. Soc., Perkin Trans. 2, 2001, 0, 1084.