Caffeine

  • Methyltheophylline
  • Methyltheobromine
  • 3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-dione
  • 1,3,7-Trimethylxanthine
Formula
C8H10N4O2
Structure
Description
Odorless white powder or white glistening needles, usually melted together. Bitter taste. Odorless.
Uses
Medication.

Registry Numbers and Inventories.
CAS
58-08-2
EC (EINECS/ELINCS)
200-362-1
EC Index Number
613-086-00-5
EC Class
Harmful
RTECS
EV6475000
RTECS class
Tumorigen; Drug; Mutagen; Reproductive Effector; Human Data; Natural Product
UN (DOT)
1544
Merck
13,1636
Beilstein/Gmelin
17705
Beilstein Reference
5-26-13-00558
EPA OPP
660
Swiss Giftliste 1
G-3762
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C8H10N4O2
Formula mass
194.20
Melting point, °C
235 - 239
Sublimation point, °C
178
Vapor pressure, mmHg
150 (80 C)
Density
1.23 g/cm3 (19 C)
Solubility in water
21.7 g/L
Refractive index
1.494 (20 C)
Partition coefficient, pKow
-0.07

Hazards and Protection.
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling
Wash hands before eating. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with skin and eyes. Do not ingest or inhale. Wash clothing before reuse.
Protection
Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin.
Respirators
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.
Small spills/leaks
Clean up spills immediately, using the appropriate protective equipment. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Incompatibilities
Strong oxidizing agents.
Decomposition
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.

Fire.
Autoignition, °C
> 600
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. To extinguish fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.
Fire potential
This material is probably combustible.
Combustion products
Fire may produce irritating, corrosive and/or toxic gases.
Health
2
 
Flammability
0
 
 
Reactivity
0
 

Health.
Poison_Class
3
Exposure effects
May cause cancer according to animal studies. May cause digestive tract and cardiac disturbances. May cause reproductive and fetal effects.
   Ingestion
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion increases the metabolic rate causing warm, flushed and moist skin, muscular weakness, rapid heart rate, insomnia, nervousness, increased metabolism and weight loss. May cause ataxia, blood pressure elevation, convulsions, hallucinations, hypermotility, muscle contraction or spasticity, somnolence (general depressed activity), toxic psychosis, and tremors.
   Inhalation
May cause respiratory tract irritation. May cause effects similar to those described for ingestion.
   Skin
May cause skin irritation.
   Eyes
Dust may cause mechanical irritation.

First aid
 
   Ingestion
Induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
   Inhalation
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
   Skin
Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
   Eyes
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Transport.
UN number
1544
Response guide
Hazard class
6.1
Packing Group
I; II; III
 
HS Code
2939 30 00