2,2-Dimethylpropyl Benzoate
[CAS# 3581-70-2]

Identification

• Name: 2,2-Dimethylpropyl Benzoate
• Synonyms: Benzoic Acid 2,2-Dimethylpropyl Ester; Benzoic Acid Neopentyl Ester; Neopentyl Benzoate
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.26
• CAS Registry Number: 3581-70-2
• SMILES: C1=CC=C(C=C1)C(=O)OCC(C)(C)C
• InChI: 1S/C12H16O2/c1-12(2,3)9-14-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
• InChIKey: ZBPDCWGVJKTGND-UHFFFAOYSA-N

Properties

• Density: 0.994g/cm³ (Cal.)
• Boiling point: 251.254°C at 760 mmHg (Cal.)
• Flash point: 110.402°C (Cal.)