2-(4-Isobutylphenyl)Propanoic Acid - Aluminium Hydrate (2:1:1)
[CAS# 61054-06-6]

Identification

• Name: 2-(4-Isobutylphenyl)Propanoic Acid - Aluminium Hydrate (2:1:1)
• Synonyms: Ibuprofen aluminiumhydroxid; IBUPROFEN ALUMINUM; Motrin-A
• Molecular Formula: C₂₆H₃₈AlO₅
• Molecular Weight: 457.56
• CAS Registry Number: 61054-06-6
• SMILES: [AlH3].O=C(O)C(c1ccc(cc1)CC(C)C)C.O=C(O)C(c1ccc(cc1)CC(C)C)C.O
• InChI: 1S/2C13H18O2.Al.H2O/c2*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;;/h2*4-7,9-10H,8H2,1-3H3,(H,14,15);;1H2
• InChIKey: YVVWOYAODPFXEK-UHFFFAOYSA-N

Properties

• Boiling point: 319.6°C at 760 mmHg (Cal.)
• Flash point: 216.7°C (Cal.)