Product Name

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  • Name

    CAFFEINE-SODIUM BENZOATE

  • EINECS
  • CAS No. 8000-95-1
  • Density
  • Solubility
  • Melting Point
  • Formula C8H10N4O2•C7H5NaO2
  • Boiling Point
  • Molecular Weight 338.33
  • Flash Point
  • Transport Information
  • Appearance
  • 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.
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 8000-95-1 (CAFFEINE-SODIUM BENZOATE)
  • Hazard Symbols
  • 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
  • PSA 101.95000
  • LogP -0.97920

Caffeine and sodium benzoate Chemical Properties

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.

Caffeine and sodium benzoate Uses

 Caffeine and sodium benzoate (CAS NO.8000-95-1) is used as pharmaceutical.

Caffeine and sodium benzoate 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.

Caffeine and sodium benzoate 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: HarmfulXn
Risk Statements: 22 
R22: Harmful if swallowed.
Safety Statements: 36 
S36: Wear suitable protective clothing. 
HazardClass: 6.1(b)

Caffeine and sodium benzoate Specification

Its extinguishing agent are water, dry powder, carbon dioxide and foam.

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