Agent Name


CAS Number




Major Category

Biological Agents


1,3,7-Trimethyl-2,6-dioxopurine; 1,3,7-Trimethylxanthine; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; Alert-Pep; Anhydrous caffeine; Cafamil; Cafecon; Cafeina; Caffedrine; Caffein; Caffeina [Italian]; Caffeine (natural); Caffeine, anhydrous; Caffeine, synthetic; Caffine; Cafipel; Coffein [German]; Coffeine; Coffeinum; Dexitac; Eldiatric C; Guaranine; Hycomine; Kofein [Czech]; Koffein [German]; Mateina; Methyltheobromine; NO-Doz; Nix Nap; Nodaca; Organex; Quick-Pep; Refresh'n; Stim; Thein; Theine; Theobromine, 1-methyl-; Theophylline, 7-methyl; Tirend; Tri-Aqua; Vivarin; Wigraine; Xanthine, 1,3,7-trimethyl; [ChemIDplus] UN1544


Plant Toxins


Odorless solid; Slightly soluble in water (1 g/ 46 mL); [Merck Index] White solid; Slightly soluble in water; [MSDSonline]


Occurs naturally in tea leaves, coffee beans, cocoa beans, mate leaves, guarana paste, and kola nuts; [Merck Index] Used in beverages, cardiac and respiratory stimulants, and diuretics; [HSDB] Also used in cosmetics; [eChemPortal: SIDSUNEP]


A diuretic and CNS and heart stimulant; [ICSC] Repeated intraperitoneal doses are toxic to liver in mice; Subcutaneous dose causes convulsions in mice with LD50 of 81 mg/kg; [RTECS] Ingestion of 35 mg/kg is moderately toxic in children. Coffee contains 50-200 mg and tea 40-100 mg of caffeine per cup. Acute caffeine poisoning can cause nausea, vomiting, delirium, seizures, hypokalemia, and fatal arrhythmias. [Olson, p. 170]

Reference Link

OECD SIDS: Caffeine - 2002

Exposure Assessment
Vapor Pressure

7.3E-9 mm Hg

Explanatory Notes

The Guide in the Emergency Response Guidebook is for "Alkaloids, solid, n.o.s. (poisonous)."

Half Life

Elimination 1/2 life in adults = 2.5-4.5 hours; [Reference #1]

Adverse Effects

Other CNS Neurotoxin


Hepatotoxin, Secondary

IARC Carcinogen

Not Classifiable

Links to Other NLM Databases
Health Studies

Human Health Effects from Hazardous Substances Data Bank:

Toxicity Information


Chemical Information

Search ChemIDplus

Biomedical References

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Related Information in HazMap
Other Information

No other related information on this agent was found.