4-(2-Methylpentyl)Benzoic Acid
[CAS# 38861-90-4]

Identification

• Name: 4-(2-Methylpentyl)Benzoic Acid
• Synonyms: Benzoic Acid, P-(2-Methylpentyl); Nsc 173005; Nsc173005
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• CAS Registry Number: 38861-90-4
• SMILES: C1=C(C(=O)O)C=CC(=C1)CC(CCC)C
• InChI: 1S/C13H18O2/c1-3-4-10(2)9-11-5-7-12(8-6-11)13(14)15/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)
• InChIKey: ITAISUHROJYPGX-UHFFFAOYSA-N

Properties

• Density: 1.025g/cm³ (Cal.)
• Boiling point: 324.128°C at 760 mmHg (Cal.)
• Flash point: 155.123°C (Cal.)