Caffeine Salicylate
[CAS# 5743-22-6]

Identification

• Name: Caffeine Salicylate
• Synonyms: Salicylic Acid; 1,3,7-Trimethylxanthine; Benzoic Acid, 2-Hydroxy-, Compd. With 3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione (1:1); Nsc144074
• Molecular Formula: C₁₅H₁₆N₄O₅
• Molecular Weight: 332.32
• CAS Registry Number: 5743-22-6
• EINECS: 227-259-4
• SMILES: C1=NC2=C([N]1C)C(=O)N(C(=O)N2C)C.C3=C(C(=CC=C3)O)C(=O)O
• InChI: 1S/C8H10N4O2.C7H6O3/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-6-4-2-1-3-5(6)7(9)10/h4H,1-3H3;1-4,8H,(H,9,10)
• InChIKey: SVXXBCDDJXZXOZ-UHFFFAOYSA-N

Properties

• Boiling point: 416.8°C at 760 mmHg (Cal.)
• Flash point: 205.9°C (Cal.)