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CAS NO:58-08-2
EC NO:200-362-1

Caffeine is a central nervous system (CNS) stimulant of the methylxanthine class.There are several known mechanisms of action to explain the effects of caffeine. The most prominent is that it reversibly blocks the action of adenosine on its receptors and consequently prevents the onset of drowsiness induced by adenosine. 
Caffeine also stimulates certain portions of the autonomic nervous system.

Caffeine is a bitter, white crystalline purine, a methylxanthine alkaloid, and is chemically related to the adenine and guanine bases of deoxyribonucleic acid (DNA) and ribonucleic acid (RNA). 
Caffeine is found in the seeds, fruits, nuts, or leaves of a number of plants native to Africa, East Asia and South America, and helps to protect them against herbivores and from competition by preventing the germination of nearby seeds, as well as encouraging consumption by select animals such as honey bees. The best-known source of caffeine is the coffee bean, the seed of the Coffea plant. People may drink beverages containing caffeine to relieve or prevent drowsiness and to improve cognitive performance. To make these drinks, caffeine is extracted by steeping the plant product in water, a process called infusion. 
Caffeine-containing drinks, such as coffee, tea, and cola, are consumed globally in high volumes. In 2020, almost 10 million tonnes of coffee beans were consumed globally.
Caffeine is the world's most widely consumed psychoactive drug. Unlike most other psychoactive substances, caffeine remains largely unregulated and legal in nearly all parts of the world. 
Caffeine is also an outlier as its use is seen as socially acceptable in most cultures and even encouraged in others, particularly in the Western world.

Chemical and physical data
Formula    C8H10N4O2
Molar mass    194.194 g·mol−1
3D model (JSmol)    
Interactive image
Density    1.23 g/cm3
Melting point    235 to 238 °C (455 to 460 °F) (anhydrous)[

Caffeine is xanthine alkaloid that occurs naturally in seeds, leaves and fruit of several plants and trees that acts as a natural pesticide. 
Caffeine is a major component of coffee, tea and chocolate and in humans acts as a central nervous system (CNS) stimulant. Consumption of caffeine, even in high doses, has not been associated with elevations in serum enzyme elevations or instances of clinically apparent liver injury.

Caffeine is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. 
Caffeine has a role as a central nervous system stimulant, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an adenosine receptor antagonist, an EC (non-specific serine/threonine protein kinase) inhibitor, a ryanodine receptor agonist, a fungal metabolite, an adenosine A2A receptor antagonist, a psychotropic drug, a diuretic, a food additive, an adjuvant, a plant metabolite, an environmental contaminant, a xenobiotic, a human blood serum metabolite, a mouse metabolite, a geroprotector and a mutagen. 
Caffeine is a purine alkaloid and a trimethylxanthine.

Usually obtained from tea dust in which it is present up to 5% or as a by-product from the manufacture of caffeine-free coffee; synthetically prepared starting with dimethylurea and malonic acid.

Caffeine occurs naturally in tea and coffee, but is prepared synthetically for commercial drug use.

Caffeine is isolated by solvent extraction from green coffee beans and tea leaves. The Zosel high-pressure extraction process is a more sophisticated procedure involving supercritical carbon dioxide, resulting in mild, selective, and toxicologically safe decaffeination.

Caffeine may be isolated from tea or coffee by boiling with water in the presence of lime or magnesium oxide, which serves to precipitate the tannins and some of the coloring matter. After filtration, the crude caffeine that separates in recrystallized from hot water after treatment with decolorizing charcoal. A source of the commercial supply is tea dust or sweepings. Increasing quantities of caffeine are now obtained as a byproduct in the manufacture of "decaffeinized coffee."

*Beverages, medicine
*Caffeine is a substance in wide use. 
Caffeine is predominantly used in the food sector and pharma sector (80% and 16% rspectively). A smaller part is used in cosmetics (3%) or in technical applications (1%). Furthermore caffeine is a naturally occurring substance in various plant species (e.g. 0.9 to 2.6% in green coffee beans). 
Caffeine is a component in coffee, tea and cocoa.
*Stimulant for central nervous and respiratory systems; cardiac and respiratory stimulant; diuretic

Caffeine is a natural chemical with stimulant effects. 
Caffeine is found in coffee, tea, cola, cocoa, guarana, yerba mate, and over 60 other products. 
Caffeine works by stimulating the central nervous system, heart, muscles, and the centers that control blood pressure. 
Caffeine can raise blood pressure, but might not have this effect in people who use it all the time.

Caffeine has a lipolytic effect on fatty cells, able to break down lipids and release fatty acids. given this ability and its draining properties, caffeine is used for skin firming and tightening. 
Caffeine is often incorporated into body product formulations targeting cellulite and slimming, as well as in eye creams that claim to reduce puffiness. Among its constituents are tannin and the alkaloid methylxanthine. 
Caffeine is a bitter-tasting, odorless white powder that occurs naturally in coffee, cola, guana paste, kola nuts, and tea. 
Caffeine is obtained as a by-product of decaffeinated coffee.

Caffeine is a white powder or needles that are odorless and have a bitter taste. Caffeine occurs naturally in tea leaves, coffee, cocoa, and cola nuts. 
Caffeine is a food additive used in soft drinks for its mildly stimulat- ing effect and distinctive taste note. 
Caffeine is used in cola-type beverages and is optional in other soft drinks up to 0.02%.

Odorless white powder or white glistening needles, usually melted together. Bitter taste. Solutions in water are neutral to litmus. Odorless.

Caffeine is a CNS stimulant that blocks Adenosine A1-R and Adenosine A2A-R. Caffeine is also a cAMP phosphodiesterase inhibitor. 
Caffeine interferes with the uptake and storage of Ca2+ by the sarcoplasmic reticulum in skeletal muscle and prevents apoptosis and cell cycle effects induced by various chemicals. 
Caffeine inhibits cellular DNA repair mechanism and displays anti-inflammatory properties. 
Caffeine is found in tea leaves, coffee beans, cocoa beans, matε leaves, guarana paste and kola nuts.

About this substance
Helpful information
Caffeine is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 1 000 to < 10 000 tonnes per annum.

Caffeine is used by consumers, by professional workers (widespread uses), in formulation or re-packing, at industrial sites and in manufacturing.

Consumer Uses
Caffeine is used in the following products: cosmetics and personal care products and perfumes and fragrances.
Other release to the environment of Caffeine is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners) and outdoor use as processing aid.

Article service life
ECHA has no public registered data on the routes by which Caffeine is most likely to be released to the environment. ECHA has no public registered data indicating whether or into which articles the substance might have been processed.

Widespread uses by professional workers
Caffeine is used in the following products: cosmetics and personal care products, laboratory chemicals and pH regulators and water treatment products. Caffeine is used in the following areas: health services and scientific research and development. Caffeine is used for the manufacture of: chemicals. Other release to the environment of Caffeine is likely to occur from: indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners).

Formulation or re-packing
Caffeine is used in the following products: cosmetics and personal care products, perfumes and fragrances and pharmaceuticals.
Caffeine has an industrial use resulting in manufacture of another substance (use of intermediates).
Release to the environment of Caffeine can occur from industrial use: formulation of mixtures and formulation in materials.

Uses at industrial sites
Caffeine is used in the following products: cosmetics and personal care products, laboratory chemicals, perfumes and fragrances, pharmaceuticals and pH regulators and water treatment products.
Caffeine has an industrial use resulting in manufacture of another substance (use of intermediates).
Caffeine is used in the following areas: formulation of mixtures and/or re-packaging, health services and scientific research and development.
Caffeine is used for the manufacture of: chemicals.
Release to the environment of Caffeine can occur from industrial use: in processing aids at industrial sites, as an intermediate step in further manufacturing of another substance (use of intermediates), as processing aid and in the production of articles.

Release to the environment of Caffeine can occur from industrial use: manufacturing of the substance.

Product Specification
Melting Point            234-236°C    
Physical Appearance            White Powder    
Conclusion            Conforms to BP grade    
Heavy metals            <20ppm    
Loss on Drying            <0.5%    
Assay            99.0% min    
Sulfated ash            <0.2%

Caffeine acts as a stimulant drug and a reversible acetylcholinesterase inhibitor. 
Caffeine plays an important role for the inactivation of Escherichia coli O 157:H 7 in brain heart infusion (BHI) broth. 
Caffeine is also useful for the protection from photodamage after ultraviolet irradiation.

Caffeine is a bitter substance that occurs naturally in over 60 plants and has stimulant effects. There is also synthetic caffeine, which is added to some medicines, foods and drinks.

Soft Drinks
Energy Drinks
Coffee & Teas

Caffeine (Pentoxifylline EP Impurity F) is a bitter, white crystalline xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor (1,2,3). 
Caffeine is found in varying quantities in the seeds, leaves, and fruit of some plants, where it acts as a natural pesticide that paralyzes and kills certain insects feeding on the plants. In humans, caffeine acts as a central nervous system stimulant, temporarily warding off drowsiness and restoring alertness. 
Caffeine is a cardiac and respiratory stimulant; diuretic. Caffeine is toxic at sufficiently high doses. 
Caffeine is a non-competitive inhibitor of acetylcholinesterase.

Flavor & Fragrance, Food & Beverage, Food Additives, Industrial Chemicals, Pharmaceutical & Fine Chemicals, Nutritionals

Caffeine is a naturally occurring chemical that is present in tea, cola nuts, guarana and coffee. 
Caffeine is able to stimulate the central nervous system, cardiac muscle, stimulate the respiratory system, act as a diuretic and delay fatigue. The chemical structure for caffeine is 1,3,7-tri methylxanthine. As a modified purine it can act as an inhibitor of enzymes that use compounds containing adenine or guanine as substrates.

Caffeine is known to be the most widely consumed psychoactive substance in the world, and is found mainly in coffee, tea and energy drinks.

Caffeine, also known by the name IUPAC name 1, 3, 7-Trimethylpurine-2,6-dione, has a chemical formula C8H10N4O2. 
Caffeine is found in common food and beverages that we consume every day, such as coffee and tea. Coffee and tea leaves contain a maximum of 5 % of the caffeine in them. In chemical laboratories, caffeine is prepared by the reaction between dimethylurea and malonic acid. In this short piece of article, let us learn more about the caffeine chemical formula, its chemical and physical properties along with its chemical structure.

Caffeine is a naturally occurring chemical stimulant called trimethylxanthine. Caffeines chemical formula is C8H10N4O2 (see Erowid: Caffeine Chemistry for an image of the molecular structure). 
Caffeine is a drug, and actually shares a number of traits with more notorious drugs such as amphetamines, cocaine and heroin.

Chemical Structure of Caffeine
Caffeine is an alkaloid and is formed by pyrimidinedione and imidazole rings which are fused together. 
Caffeine should be noted that pyrimidinedione is a 6-member ring having 2 nitrogen atoms while an imidazole ring is a 5-member ring having 2 nitrogen atoms.

Caffeine Uses
Commonly used stimulants in athletes
Caffeine creams are applied to the skin to reduce redness and itching in dermatitis.
Caffeine is used as an ingredient in energy drinks, soft drinks and other beverages.

IUPAC names
1,3,7-trimethyl xanthine
1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
1,3,7-Trimethyl-3, 7-dihydro-1H-purine-2,6-dione
1,3,7-trimethylpurine -2,6-dione
1,3,7-Trimethylxanthine, Coffeinum, 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, 1,3,7-Trimethyl-2,6-dioxopurine, 1,3,7-Trimethyl-7H-purine-2,6-dione, 1,3,7-Trimethylxanthine
1,3,7-Trimethylxanthine; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-
Coffein, wasserfrei

FEMA 2224
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-

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