p-Toluic Acid Isobutyl Ester
[CAS# 29240-30-0]

Identification

• Name: p-Toluic Acid Isobutyl Ester
• Synonyms: Isobutyl 4-Methylbenzoate; 4-Methylbenzoic Acid Isobutyl Ester; Benzoic Acid, 4-Methyl-, 2-Methylpropyl Ester
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.26
• CAS Registry Number: 29240-30-0
• SMILES: C1=CC(=CC=C1C)C(OCC(C)C)=O
• InChI: 1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
• InChIKey: IELVQABKIBOBRG-UHFFFAOYSA-N

Properties

• Density: 0.994g/cm³ (Cal.)
• Boiling point: 262.069°C at 760 mmHg (Cal.)
• Flash point: 115.128°C (Cal.)