5-Methyl-2-(6-Methyl-1-Cyclohex-3-Enyl)-5-Nitro-1,3-Dioxane
[CAS# 5468-04-2]

Identification

• Name: 5-Methyl-2-(6-Methyl-1-Cyclohex-3-Enyl)-5-Nitro-1,3-Dioxane
• Synonyms: Nsc25474
• Molecular Formula: C₁₂H₁₉NO₄
• Molecular Weight: 241.29
• CAS Registry Number: 5468-04-2
• SMILES: CC1([N+]([O-])=O)COC(OC1)C2CC=CCC2C
• InChI: 1S/C12H19NO4/c1-9-5-3-4-6-10(9)11-16-7-12(2,8-17-11)13(14)15/h3-4,9-11H,5-8H2,1-2H3
• InChIKey: NIYFQKGUYGGEDO-UHFFFAOYSA-N

Properties

• Density: 1.151g/cm³ (Cal.)
• Boiling point: 340.02°C at 760 mmHg (Cal.)
• Flash point: 138.074°C (Cal.)