5-(4-Hydroxybenzylidene)-2,2-Dimethyl-1,3-Dioxane-4,6-Dione
[CAS# 17474-27-0]

Identification

• Name: 5-(4-Hydroxybenzylidene)-2,2-Dimethyl-1,3-Dioxane-4,6-Dione
• Synonyms: 1,3-Dioxane-4,6-dione,5-[(4-hydroxyphenyl)methylene]-2,2-dimethyl-; 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione #; Malonic acid, (p-hydroxybenzylidene)-, cyclic isopropylidene ester
• Molecular Formula: C₁₃H₁₂O₅
• Molecular Weight: 248.23
• CAS Registry Number: 17474-27-0
• SMILES: CC1(OC(=O)C(=CC2=CC=C(C=C2)O)C(=O)O1)C
• InChI: 1S/C13H12O5/c1-13(2)17-11(15)10(12(16)18-13)7-8-3-5-9(14)6-4-8/h3-7,14H,1-2H3
• InChIKey: JPPNMIXVIYOENU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 528.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 208.4±23.6°C (Cal.)
• Refractive index: 1.601 (Cal.)

References

• (1): Wu-Lan Zeng . 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione , Acta Cryst (2010). E66, o2319Â Â