5-Methyl-2-Phenyl-5-Propyl-1,3-Dioxane
[CAS# 41277-91-2]

Identification

• Name: 5-Methyl-2-Phenyl-5-Propyl-1,3-Dioxane
• Synonyms: Nsc45678
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.31
• CAS Registry Number: 41277-91-2
• SMILES: C1=CC=CC=C1C2OCC(C)(CCC)CO2
• InChI: 1S/C14H20O2/c1-3-9-14(2)10-15-13(16-11-14)12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3
• InChIKey: CCCPRXFUVJKNBH-UHFFFAOYSA-N

Properties

• Density: 0.978g/cm³ (Cal.)
• Boiling point: 304.153°C at 760 mmHg (Cal.)
• Flash point: 146.924°C (Cal.)