3-Methylheptadecanoic Acid
[CAS# 60787-51-1]

Identification

• Name: 3-Methylheptadecanoic Acid
• Synonyms: 1-(11C)-3-R,S-Methylheptadecanoic Acid; 3-Methylmargaric Acid; Heptadecanoic Acid, 3-Methyl-
• Molecular Formula: C₁₈H₃₆O₂
• Molecular Weight: 284.48
• CAS Registry Number: 60787-51-1
• SMILES: C(C(CCCCCCCCCCCCCC)C)C(O)=O
• InChI: 1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
• InChIKey: WUMIFWUKSVCEOW-UHFFFAOYSA-N

Properties

• Density: 0.887g/cm³ (Cal.)
• Boiling point: 400.836°C at 760 mmHg (Cal.)
• Flash point: 225.65°C (Cal.)