2,2-Bis(3-Methylbutyl)-1,3-Propanediol
[CAS# 403519-64-2]

Identification

• Name: 2,2-Bis(3-Methylbutyl)-1,3-Propanediol
• Synonyms: 2,2-Diisoamyl-1,3-propanediol
• Molecular Formula: C₁₃H₂₈O₂
• Molecular Weight: 216.36
• CAS Registry Number: 403519-64-2
• SMILES: CC(C)CCC(CCC(C)C)(CO)CO
• InChI: 1S/C13H28O2/c1-11(2)5-7-13(9-14,10-15)8-6-12(3)4/h11-12,14-15H,5-10H2,1-4H3
• InChIKey: CRJRLBBFSRNKLY-UHFFFAOYSA-N

Properties

• Density: 0.906g/cm³ (Cal.)
• Melting point: 92°C (Expl.)
• Boiling point: 273.874°C at 760 mmHg (Cal.)
• Flash point: 112.045°C (Cal.)
• Refractive index: 1.458 (Cal.)