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58-08-2

Caffeine

CAS: 58-08-2

Molecular Formula: C8H10N4O2

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58-08-2 - Names and Identifiers

Name Caffeine
Synonyms Caffeine
Natural Caffeinum
Caffeine Anhydrous
Green tea extract Caffeine
melting point standard caffeine
3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione~1,3,7-Trimethylxanthine
CAS 58-08-2
EINECS 200-362-1
InChI InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3

58-08-2 - Physico-chemical Properties

Molecular FormulaC8H10N4O2
Molar Mass194.19
Density1.23
Melting Point234-239℃
Water Solubility20 g/L (20℃)
UseCentral stimulants for the preparation of pharmaceutical compound preparations and food additives

58-08-2 - Risk and Safety

Hazard SymbolsXn - Harmful
Harmful
Risk CodesR22 - Harmful if swallowed
UN IDsUN 1544

58-08-2 - Nature

Open Data Verified Data

White microstrip yellow-green needle-like crystal or crystalline powder, with spun silk luster, odorless, bitter taste. Highly soluble in pyrrole and tetrahydrofuran containing 4% water, soluble in ethyl acetate, slightly soluble in petroleum ether.

Last Update：2024-01-02 23:10:35

58-08-2 - Preparation Method

Open Data Verified Data

cyanoacetic acid was obtained by neutralization, cyanidation and acidification of chloroacetic acid, followed by condensation with urea to obtain cyanoacetourea, followed by acidification, nitrosation, reduction, acylation and methylation to obtain caffeine. Can also be extracted from tea, coffee beans, cocoa.

Last Update：2022-01-01 10:10:33

58-08-2 - Standard

Authoritative Data Verified Data

This product is 1,3, 7-trimethyl-3, 7-dihydro-1h-purine-2, 6-dione monohydrate or an anhydrous thereof. Calculated as dry product, containing no less than 98.5% of C8H10N4O2.

Last Update：2024-01-02 23:10:35

58-08-2 - Trait

Authoritative Data Verified Data
  • This product is white or with a very yellowish green, mercerized needle-like crystal or crystalline powder; Odorless; Weathering.
  • This product is soluble in hot water or chloroform, slightly soluble in water, ethanol or acetone, and slightly soluble in ether.

melting point

The melting point of this product (General rule 0612 first method) is 235~238 ℃.

Last Update：2022-01-01 13:35:35

58-08-2 - Use

Open Data Verified Data

has the effect of stimulating the central nervous system, such as refreshing the brain. China's provisions can be used for cola-type beverages, the maximum amount of 0. 15 g/kg.

Last Update：2022-01-01 10:10:33

58-08-2 - Differential diagnosis

Authoritative Data Verified Data
  1. take about 10mg of this product, add 1 ml of hydrochloric acid and 0.lg of potassium chlorate, and steam dry on a water bath. The residual Tong will appear purple when exposed to ammonia; Add several drops of sodium hydroxide test solution, and the purple color will disappear.
  2. take 5ml of the saturated aqueous solution of this product, add 5 drops of Iodine test solution, no precipitation; Add 3 drops of dilute hydrochloric acid to generate red-brown precipitate, and can be dissolved in a slight excess of sodium hydroxide solution.
  3. The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 1289).
Last Update：2022-01-01 13:35:35

58-08-2 - Exam

Authoritative Data Verified Data

clarity of the solution

take l.Og of this product, add 50ml of water, heat and boil, let cool, and the solution should be clarified.

Related substances

take this product, add three gas methane-methanol (3:2) dissolved into a solution containing about 20mg per 1 ml, as a test solution; Take appropriate amount of precision, add the above solvent quantitative dilution to each 1 ml containing about 0.10 mg solution, as a control solution. According to the thin layer chromatography (General 0502) test, absorb 10ul of each of the above two solutions, respectively point on the same silica gel GF254 thin layer plate, with n-butanol-acetone-chloroform-concentrated ammonia solution (40:30:30:10) for developing solvent, expand, dry, and view under UV light (254nm). Test solution such as impurity spots, compared with the control solution of the main spot, not deeper.

loss on drying

take this product, dry at 105°C for 2 hours, lose no more than 8.5% weight; If it is anhydrous caffeine, dry at 105°C for 1 hour, weight loss shall not exceed 0.5% (General rule 0831).

ignition residue

not more than 0.1% (General rule 0841).

Heavy metals

take 0.5g of this product, add 20ml of water, heat and dissolve it, let it cool, add 2ml of acetate buffer (pH3.5) and an appropriate amount of water to 25ml (filter if necessary), inspection according to law (General Principles 0821, Law 1), containing heavy metals shall not exceed 10 parts per million.

Last Update：2022-01-01 13:35:36

58-08-2 - Content determination

Authoritative Data Verified Data

take about 0.15g of this product, precision weighing, add 25ml of acetic anhydride-glacial acetic acid (5:1) mixture, dissolve at a slight temperature, cool, add 1 drop of crystal violet indicator solution, with perchloric acid titration solution (0.1 mol/L) titration to the solution yellow, and the results of the titration with blank test correction. Each 1 ml of perchloric acid titration solution (0.1 mol/L) corresponds to 19.42mg of C8H10N4O2.

Last Update：2022-01-01 13:35:37

58-08-2 - Category

Authoritative Data Verified Data

Central stimulant.

Last Update：2022-01-01 13:35:37

58-08-2 - Storage

Authoritative Data Verified Data

sealed storage.

Last Update：2022-01-01 13:35:37
Supplier List
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CAS: 58-08-2
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Product List: View Catalog
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