CAFFEINE

Caffeine is a natural stimulant most commonly found in coffee, tea, and various other plants. 
It primarily acts as a central nervous system stimulant, helping to reduce fatigue and improve alertness.

CAS Number: 58-08-2
Synonyms:,1,3,7-Trimethylxanthine,Theine (in tea),Guaranine (in guarana),Mateine (in mate),Caffine

Introduction to Caffeine
Definition and Chemical Structure

Caffeine (1,3,7-trimethylxanthine) is a naturally occurring alkaloid found in various plant species. 
Its chemical structure is based on xanthine, with three methyl groups attached at positions 1, 3, and 7. Caffeine’s structure belongs to the class of compounds known as purines.

Brief History of Caffeine Discovery
The stimulant properties of caffeine have been known for centuries, with coffee, tea, and cacao being consumed for their stimulating effects long before the isolation of caffeine. 
The compound was first isolated from coffee in 1820 by the German chemist Friedlieb Ferdinand Runge.

Sources of Caffeine (Natural and Synthetic)
Naturally, caffeine is found in coffee, tea, cocoa beans, kola nuts, and yerba mate. 
It is also found in smaller amounts in various plants. 
Synthetic caffeine is produced in laboratories for use in pharmaceuticals, energy drinks, and other products.

Chemical Properties
Molecular Formula and Structure
Caffeine's molecular formula is C₈H₁₀N₄O₂, and its molecular weight is 194.19 g/mol. 
The three methyl groups are attached to the nitrogen atoms of the purine structure, which is a heterocyclic compound consisting of carbon and nitrogen atoms.

Physical Properties
Caffeine is a white, odorless, crystalline powder that is water-soluble, with a solubility of about 2.17 g/100 mL in water at 25°C. It has a melting point around 238°C and exhibits a bitter taste.
Isomers and Stereochemistry of Caffeine
The caffeine molecule has specific stereochemistry due to the spatial arrangement of its atoms. Caffeine exists as a single stereoisomer, which is a specific arrangement of atoms around its chiral centers.

Biological and Pharmacological Effects
Mechanism of Action
Caffeine primarily exerts its stimulant effects by antagonizing adenosine receptors (A1 and A2A) in the brain. 
Adenosine typically promotes relaxation and sleepiness, and caffeine blocks these effects, leading to increased alertness and wakefulness.

Stimulant Effects on the Central Nervous System
Caffeine increases the release of neurotransmitters like dopamine and norepinephrine, which contribute to its stimulating effects, enhancing focus, cognitive function, and energy.

Effects on the Cardiovascular System
Caffeine can increase heart rate and blood pressure in sensitive individuals. These effects are typically transient and can be more pronounced in those not regularly consuming caffeine.

Caffeine Metabolism (Half-life, Enzymes Involved)
The half-life of caffeine in the human body is about 3-5 hours, though it can vary depending on individual factors like age, liver function, and pregnancy. 
The metabolism of caffeine is mainly mediated by the liver enzyme CYP1A2, which breaks down caffeine into its metabolites.

Effects on Sleep, Mood, and Performance
Caffeine is known to improve alertness and performance in cognitive tasks, but excessive consumption, particularly late in the day, can disrupt sleep. 
It can also affect mood, with some individuals reporting feelings of anxiety or jitteriness at higher doses.

Health Implications
Benefits of Caffeine Consumption
Studies show that moderate caffeine intake may improve mental alertness, reduce the risk of neurodegenerative diseases (like Alzheimer's and Parkinson's), and provide temporary relief from fatigue and headaches. 
It may also improve athletic performance and endurance.

Potential Health Risks
High caffeine intake can lead to insomnia, increased anxiety, jitteriness, and gastrointestinal disturbances. 
In some individuals, it can cause dependence and withdrawal symptoms like headaches, irritability, and fatigue.

Caffeine in Different Populations
Pregnant women are advised to limit caffeine consumption due to its potential effects on fetal development, including an increased risk of miscarriage and low birth weight. 
Children and adolescents are also advised to avoid excessive caffeine due to its stimulating effects and potential impact on growth and development.

Caffeine and Mental Health
The relationship between caffeine and mental health is complex. 
While it may enhance alertness and cognitive function in the short term, chronic consumption has been associated with increased anxiety and, in rare cases, caffeine-induced psychosis.

Caffeine Consumption
Typical Sources of Caffeine
Coffee, tea, chocolate, energy drinks, and soft drinks are the most common sources of caffeine. 
The caffeine content in these beverages can vary widely, with an 8 oz cup of coffee containing 80–100 mg of caffeine on average.

Global Consumption Patterns
Coffee is the most popular source of caffeine worldwide, particularly in Europe and North America. Tea is more commonly consumed in Asia and the UK. 
Energy drinks have seen a rise in popularity, especially among younger individuals.

Recommended Caffeine Intake Limits
According to the FDA, a safe daily caffeine intake for most adults is up to 400 mg, which is roughly equivalent to four 8 oz cups of coffee. 
Pregnant women are advised to limit their intake to 200 mg per day.

Caffeine Addiction and Withdrawal Symptoms
Regular caffeine consumption can lead to tolerance and dependence. 
Withdrawal symptoms include headaches, fatigue, irritability, and difficulty concentrating. 
These symptoms typically resolve within a few days after cessation.

Caffeine in Industry
Use in the Food and Beverage Industry
Caffeine is added to various food products, such as energy drinks, sodas, and chocolate, for its stimulating effects. 
It is also used in dietary supplements aimed at improving performance and alertness.

Caffeine as a Stimulant in Pharmaceuticals
Caffeine is included in some over-the-counter medications for its stimulating effects. 
It is commonly found in pain relievers, cold medications, and weight loss supplements.

Caffeine in Energy Drinks and Supplements
Energy drinks often contain high doses of caffeine combined with other ingredients like taurine, B vitamins, and sugar. 
These drinks are marketed as performance enhancers and fatigue fighters, especially for young adults.

Caffeine in Cosmetics
In cosmetics, caffeine is sometimes included for its purported anti-cellulite effects, as it can constrict blood vessels and improve the appearance of skin. 
It is also used in hair care products to stimulate hair growth.

Caffeine Production and Synthesis
Natural Extraction Methods
Caffeine is extracted from coffee beans, tea leaves, and kola nuts. 
The extraction process involves using solvents or hot water to isolate caffeine, which is then purified for use in various products.

Synthetic Caffeine Production Methods
Synthetic caffeine is typically produced via chemical synthesis from theobromine or xanthine. 
This method is more cost-effective and efficient, especially for the large quantities required by the food and pharmaceutical industries.

Economic Significance of Caffeine Production
The global caffeine market is significant, with coffee and tea being major agricultural commodities. Caffeine production supports a large number of industries, including food and beverage, pharmaceuticals, and cosmetics.
SAFETY INFORMATION ABOUT CAFFEINE

 
 
First aid measures:
Description of first aid measures:
General advice:
Consult a physician. 
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area:
 
If inhaled:
If breathed in, move person into fresh air. 
If not breathing, give artificial respiration.
Consult a physician.
In case of skin contact:
Take off contaminated clothing and shoes immediately. 
Wash off with soap and plenty of water.
Consult a physician.
 
In case of eye contact:
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Continue rinsing eyes during transport to hospital.
 
If swallowed:
Do NOT induce vomiting. 
Never give anything by mouth to an unconscious person. 
Rinse mouth with water. 
Consult a physician.
 
Firefighting measures:
Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas
 
Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
Accidental release measures:
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. 
 
Avoid breathing vapours, mist or gas. 
Evacuate personnel to safe areas.
 
Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.
 
Methods and materials for containment and cleaning up:
Soak up with inert absorbent material and dispose of as hazardous waste. 
Keep in suitable, closed containers for disposal.
 
Handling and storage:
Precautions for safe handling:
Avoid inhalation of vapour or mist.
 
Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place. 
Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Storage class (TRGS 510): 8A: Combustible, corrosive hazardous materials
 
Exposure controls/personal protection:
Control parameters:
Components with workplace control parameters
Contains no substances with occupational exposure limit values.
Exposure controls:
Appropriate engineering controls:
Handle in accordance with good industrial hygiene and safety practice.
Wash hands before breaks and at the end of workday.
 
Personal protective equipment:
Eye/face protection:
Tightly fitting safety goggles. 
Faceshield (8-inch minimum). 
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
 
Skin protection:
Handle with gloves. 
Gloves must be inspected prior to use. 
Use proper glove
removal technique (without touching glove's outer surface) to avoid skin contact with this product. 
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. 
Wash and dry hands.
 
Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0.11 mm
Break through time: 480 min
Material tested:Dermatril (KCL 740 / Aldrich Z677272, Size M)
It should not be construed as offering an approval for any specific use scenario.
 
Body Protection:
Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection:
Where risk assessment shows air-purifying respirators are appropriate use a fullface respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. 
 
If the respirator is the sole means of protection, use a full-face supplied air respirator. 
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. 
Do not let product enter drains.
Discharge into the environment must be avoided.
 
Stability and reactivity:
Chemical stability:
Stable under recommended storage conditions.
Incompatible materials:
Strong oxidizing agents:
Hazardous decomposition products:
Hazardous decomposition products formed under fire conditions. 
Carbon oxides, Nitrogen oxides (NOx), Hydrogen chloride gas.
 
Disposal considerations:
Waste treatment methods:
Product:
Offer surplus and non-recyclable solutions to a licensed disposal company. 
Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging:
Dispose of as unused product