Caffeine Sodium Salicylate
[CAS# 8002-85-5]

Identification

• Name: Caffeine Sodium Salicylate
• Synonyms: Sodium; Caffeine; Salicylate; Benzoic Acid, 2-Hydroxy-, Monosodium Salt, Mixt. With 3,7-Dihydro-1,3,7-Trimethy; Benzoic Acid, 2-Hydroxy-, Monosodium Salt, Mixt. With 3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione
• Molecular Formula: C₁₅H₁₅N₄NaO₅
• Molecular Weight: 354.30
• CAS Registry Number: 8002-85-5
• SMILES: C2=NC1=C(C(N(C)C(N1C)=O)=O)[N]2C.C3=C(C(=CC=C3)O)C(=O)[O-].[Na+]
• InChI: 1S/C8H10N4O2.C7H6O3.Na/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);/q;;+1/p-1
• InChIKey: MJZVAJZDKMFTBN-UHFFFAOYSA-M

Properties

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