[4-(2,4,4-Trimethylpentan-2-Yl)Phenyl] Butanoate
[CAS# 5454-46-6]

Identification

• Name: [4-(2,4,4-Trimethylpentan-2-Yl)Phenyl] Butanoate
• Synonyms: [4-(1,1,3,3-Tetramethylbutyl)Phenyl] Butanoate; Butanoic Acid [4-(1,1,3,3-Tetramethylbutyl)Phenyl] Ester; Butyric Acid [4-(1,1,3,3-Tetramethylbutyl)Phenyl] Ester
• Molecular Formula: C₁₈H₂₈O₂
• Molecular Weight: 276.42
• CAS Registry Number: 5454-46-6
• SMILES: C1=C(C=CC(=C1)C(CC(C)(C)C)(C)C)OC(CCC)=O
• InChI: 1S/C18H28O2/c1-7-8-16(19)20-15-11-9-14(10-12-15)18(5,6)13-17(2,3)4/h9-12H,7-8,13H2,1-6H3
• InChIKey: FZDWCIFEPCLFTI-UHFFFAOYSA-N

Properties

• Density: 0.944g/cm³ (Cal.)
• Boiling point: 348.444°C at 760 mmHg (Cal.)
• Flash point: 119.659°C (Cal.)