7-(2-Hydroxyethyl)-1,3-Dimethyl-Purine-2,6-Dione, (3,3,5-Trimethylcyclohexyl) 2-Hydroxy-2-Phenyl-Acetate
[CAS# 84930-23-4]

Identification

• Name: 7-(2-Hydroxyethyl)-1,3-Dimethyl-Purine-2,6-Dione, (3,3,5-Trimethylcyclohexyl) 2-Hydroxy-2-Phenyl-Acetate
• Synonyms: 7-(2-Hydroxyethyl)-1,3-Dimethyl-Purine-2,6-Dione; (3,3,5-Trimethylcyclohexyl) 2-Hydroxy-2-Phenyl-Acetate; 7-(2-Hydroxyethyl)-1,3-Dimethylpurine-2,6-Dione; 2-Hydroxy-2-Phenylacetic Acid (3,3,5-Trimethylcyclohexyl) Ester; 7-(2-Hydroxyethyl)-1,3-Dimethyl-Xanthine; 2-Hydroxy-2-Phenyl-Acetic Acid (3,3,5-Trimethylcyclohexyl) Ester
• Molecular Formula: C₂₆H₃₆N₄O₆
• Molecular Weight: 500.59
• CAS Registry Number: 84930-23-4
• SMILES: C1=NC2=C([N]1CCO)C(=O)N(C(=O)N2C)C.C4=C(C(O)C(OC3CC(CC(C3)C)(C)C)=O)C=CC=C4
• InChI: 1S/C17H24O3.C9H12N4O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13;1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h4-8,12,14-15,18H,9-11H2,1-3H3;5,14H,3-4H2,1-2H3
• InChIKey: XWJRBYJNVOQFOC-UHFFFAOYSA-N

Properties

• Boiling point: 380.1°C at 760 mmHg (Cal.)
• Flash point: 150.1°C (Cal.)