3-Benzyl-7-Methyl-Octanoic Acid
[CAS# 93156-64-0]

Identification

• Name: 3-Benzyl-7-Methyl-Octanoic Acid
• Synonyms: 3-(Benzyl)-7-Methyl-Caprylic Acid; 4-09-00-01973 (Beilstein Handbook Reference); Brn 3295593
• Molecular Formula: C₁₆H₂₄O₂
• Molecular Weight: 248.36
• CAS Registry Number: 93156-64-0
• SMILES: C1=C(CC(CC(=O)O)CCCC(C)C)C=CC=C1
• InChI: 1S/C16H24O2/c1-13(2)7-6-10-15(12-16(17)18)11-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,17,18)
• InChIKey: FJFYUNDWOMHNIM-UHFFFAOYSA-N

Properties

• Density: 0.995g/cm³ (Cal.)
• Boiling point: 367.585°C at 760 mmHg (Cal.)
• Flash point: 264.492°C (Cal.)