5-Isobutylnaphthalene-1-Acetic Acid
[CAS# 72221-66-0]

Identification

• Name: 5-Isobutylnaphthalene-1-Acetic Acid
• Synonyms: 2-(5-Isobutyl-1-Naphthyl)Acetic Acid; 2-[5-(2-Methylpropyl)Naphthalen-1-Yl]Ethanoic Acid; 1-Naphthaleneacetic Acid, 5-(2-Methylpropyl)-
• Molecular Formula: C₁₆H₁₈O₂
• Molecular Weight: 242.32
• CAS Registry Number: 72221-66-0
• SMILES: C2=CC=C1C(=CC=CC1=C2CC(=O)O)CC(C)C
• InChI: 1S/C16H18O2/c1-11(2)9-12-5-3-8-15-13(10-16(17)18)6-4-7-14(12)15/h3-8,11H,9-10H2,1-2H3,(H,17,18)
• InChIKey: MJPDFVFWDUWGPQ-UHFFFAOYSA-N

Properties

• Density: 1.116g/cm³ (Cal.)
• Boiling point: 410.23°C at 760 mmHg (Cal.)
• Flash point: 307.001°C (Cal.)