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| CAS No.: | 8000-95-1 |
|---|---|
| Name: | CAFFEINE-SODIUM BENZOATE |
| Molecular Structure: | |
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| Formula: | C8H10N4O2•C7H5NaO2 |
| Molecular Weight: | 338.33 |
| Synonyms: | 1,3,7-TRIMETHYLXANTHINE SODIUM BENZOATE;1,3,7-TRIMETHYL-2,6-DIOXOPURINE SODIUM BENZOATE;CAFFEINE-SODIUM BENZOATE;CAFFEINE AND SODIUM BENZOATE;COFFEINE SODIUM BENZOATE;GUARANINE SODIUM BENZOATE;METHYLTHEOBROMINE SODIUM BENZOATE;SODIUM CAFFEINE BENZOATE |
| Hazard Symbols: |
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| Risk Codes: | 22 |
| Safety: | Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also CAFFEINE and SODIUM BENZOATE. |
| PSA: | 101.95000 |
| LogP: | -0.97920 |
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Chemistry
IUPAC Name: Sodium 1,3,7-trimethylpurine-2,6-dione benzoate
Molecular Formula: C15H15N4NaO4
Transport information: 1544
Molecular Weight: 338.33g/mol
Flash Point: 205.9 °C
Boiling Point: 416.8 °C at 760 mmHg
Freely Rotating Bonds: 0
Polar Surface Area: 58.44 Å2
Enthalpy of Vaporization: 67.01 kJ/mol
Vapour Pressure: 3.72E-07 mmHg at 25°C
The Cas Register Number of Caffeine and sodium benzoate is 8000-95-1.The chemical synonyms of Caffeine and sodium benzoate (CAS NO.8000-95-1) are 1,3,7-Trimethylxanthine sodium benzoate ; 1,3,7-Trimethyl-2,6-dioxopurine sodium benzoate ; Caffeine-sodium benzoate ; Caffeine and sodium benzoate ; Coffeine sodium benzoate ; Guaranine sodium benzoate ; Methyltheobromine sodium benzoate ; Sodium caffeine benzoate .The molecular structure of Caffeine and sodium benzoate (CAS NO.8000-95-1) is
.
Uses
Caffeine and sodium benzoate (CAS NO.8000-95-1) is used as pharmaceutical.
Toxicity Data With Reference
| 1. | orl-rat LD50:860 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,31. | ||
| 2. | orl-mus LD50:800 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,31. | ||
| 3. | ipr-mus LD50:525 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 116 (1956),343. |
Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also CAFFEINE and SODIUM BENZOATE.
Hazard Codes: 
Xn
Risk Statements: 22
R22: Harmful if swallowed.
Safety Statements: 36
S36: Wear suitable protective clothing.
HazardClass: 6.1(b)
Specification
Its extinguishing agent are water, dry powder, carbon dioxide and foam.