[4-(2,4,4-Trimethylpentan-2-Yl)Phenyl] 2-Methylpropanoate
[CAS# 5454-47-7]

Identification

• Name: [4-(2,4,4-Trimethylpentan-2-Yl)Phenyl] 2-Methylpropanoate
• Synonyms: [4-(1,1,3,3-Tetramethylbutyl)Phenyl] 2-Methylpropanoate; 2-Methylpropanoic Acid [4-(1,1,3,3-Tetramethylbutyl)Phenyl] Ester; 2-Methylpropionic Acid [4-(1,1,3,3-Tetramethylbutyl)Phenyl] Ester
• Molecular Formula: C₁₈H₂₈O₂
• Molecular Weight: 276.42
• CAS Registry Number: 5454-47-7
• SMILES: C1=C(OC(C(C)C)=O)C=CC(=C1)C(C)(C)CC(C)(C)C
• InChI: 1S/C18H28O2/c1-13(2)16(19)20-15-10-8-14(9-11-15)18(6,7)12-17(3,4)5/h8-11,13H,12H2,1-7H3
• InChIKey: YZICPWYLCGQURQ-UHFFFAOYSA-N

Properties

• Density: 0.943g/cm³ (Cal.)
• Boiling point: 344.02°C at 760 mmHg (Cal.)
• Flash point: 118.609°C (Cal.)