alpha-Isobutylbenzyl Acetate
[CAS# 68141-21-9]

Identification

• Name: alpha-Isobutylbenzyl Acetate
• Synonyms: (3-Methyl-1-Phenyl-Butyl) Acetate; Acetic Acid (3-Methyl-1-Phenylbutyl) Ester; Acetic Acid (3-Methyl-1-Phenyl-Butyl) Ester
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• CAS Registry Number: 68141-21-9
• EINECS: 268-843-9
• SMILES: C1=CC=C(C=C1)C(OC(=O)C)CC(C)C
• InChI: 1S/C13H18O2/c1-10(2)9-13(15-11(3)14)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3
• InChIKey: PJHMVQZEQHALNW-UHFFFAOYSA-N

Properties

• Density: 0.985g/cm³ (Cal.)
• Boiling point: 262.002°C at 760 mmHg (Cal.)
• Flash point: 94.458°C (Cal.)