Caffeine |

Last updated: 22/08/2025
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(Also known as: 1,3,7-trimethylxanthine) |
This is a plant-derived substance for which limited data is currently available. The substance is not commercially available as a pesticide but is currently subject to the EU regulatory risk assessment.. |
The following alerts are based on the data in the tables below. An absence of an alert does not imply the substance has no implications for human health, biodiversity or the environment but just that we do not have the data to form a judgement. These hazard alerts do not take account of usage patterns or exposure, thus do not represent risk.
Environmental fate |
Ecotoxicity |
Human health |
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A plant alkaloid which has strong insecticidal and molluscicidal activity |
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Slugs; Snails |
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Brassicas; Potatoes; Ornamentals |
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- |
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- |
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- |
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Not approved |
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Not applicable |
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No UK approval for use as a plant protection agent |
EC Regulation 1107/2009 (repealing 91/414) |
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Not approved |
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Not applicable |
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Not applicable |
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No |
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Yes |
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ATAustria |
BEBelgium |
BGBulgaria |
CYCyprus |
CZCzech Republic |
DEGermany |
DKDenmark |
EEEstonia |
ELGreece |
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ESSpain |
FIFinland |
FRFrance |
HRCroatia |
HUHungary |
IEIreland |
ITItaly |
LTLithuania |
LULuxembourg |
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LVLatvia |
MTMalta |
NLNetherlands |
PLPoland |
PTPortugal |
RORomania |
SESweden |
SISlovenia |
SKSlovakia |
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ISIceland |
NONorway |
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Caffeine itself is not stereoisomeric, but it does have structural isomers and shares its molecular formula with other xanthine alkaloids like theobromine that is found in chocolate and theophylline used in asthma medications. These differ in the position of methyl groups on the xanthine ring, giving them distinct pharmacological effects despite similar structures. |
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C₈H₁₀N₄O₂ |
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CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
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- |
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RYYVLZVUVIJVGH-UHFFFAOYSA-N |
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InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 |
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Yes |
Cambridge Crystallographic Data Centre diagrams |
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Common Name |
Relationship |
Link |
caffeine |
- |
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Insecticide; Acaricide; Molluscicide; Other substance |
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Food additive; Food supplement; Biocide |
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Plant-derived substance |
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98.5 |
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EFSA technical report: Arsenic < 3 mg kg⁻¹; Lead < 0.002% |
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Natural |
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Natural toxin which when consumed paralyses and kill insects |
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Naturally occurring substance commonly sourced from the coffee bean, tea leaves and cacao beans |
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Crop protection |
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Slugs and snails |
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Brassicas; Potatoes; Ornamentals |
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- |
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58-08-2 |
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200-362-1 |
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- |
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- |
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2519 |
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194.19 |
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1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
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1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
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1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
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- |
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E150; FEMA 2224; FLAVIS=16.015 |
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- |
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Not applicable |
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Not applicable |
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- |
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Not applicable |
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- |
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Odourless white crystalline powder |
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Novel |
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early-1990s, informal use recorded |
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- |
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Available in a variety of formulations including suspension concentrates for direct application and granules |
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Commercial production of caffeine may be achieved via both natural extraction and synthetic synthesis, depending on the intended application and scale. Naturally, caffeine is extracted from plant sources such as coffee beans, tea leaves, guarana, and yerba mate. The process typically includes water or solvent extraction, followed by filtration, purification, and crystallisation to isolate caffeine in its pure form. On the synthetic side, caffeine can be produced through chemical synthesis using compounds like urea and cyanoacetic acid, though this method is less common due to cost and complexity. The purified caffeine is then formulated into products for use. |
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GHG emissions from caffeine production are not available. Most studies focus on the carbon footprint of coffee as a whole, not isolated caffeine. For coffee, producing 1 kg of green Arabica coffee beans using conventional methods emits approximately 15.33 kg of CO₂e. Extraction of caffeine from coffee beans involves solvent use (e.g. methylene chloride or CO₂ in supercritical extraction) and energy-intensive steps like drying and purification. Consequently, the GHG emissions for caffeine are likely to be considerably higher than that for coffee. |
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2170 |
Q3 Q = Miscellaneous data from online sources 3 = Unverified data of known source at 25°C |
High |
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- |
- |
- |
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235 |
Q3 Q = Miscellaneous data from online sources 3 = Unverified data of known source |
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178 |
Q3 Q = Miscellaneous data from online sources 3 = Unverified data of known source |
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1.23 |
Q3 Q = Miscellaneous data from online sources 3 = Unverified data of known source |
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As this parameter is not normally measured directly, a surrogate measure is used: ‘Photochemical oxidative DT₅₀’. Where data is available, this can be found in the Fate Indices section below. |
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Soil adsorption and mobility |
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None
Terrestrial ecotoxicology |
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> 433 |
Rat |
Moderate |
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> 150 |
Pimephales promelas
| Low |
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|
736 |
Danio rerio |
Low |
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177.5 |
Daphnia magna |
Low |
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> 150 |
Raphidocelis subcapitata |
Low |
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HUMAN HEALTH AND PROTECTION |
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> 433 |
Rat |
Moderate |
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Rapidly eliminated in the urine |
Q3 Q = Miscellaneous data from online sources 3 = Unverified data of known source |
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Carcinogen |
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Endocrine disruptor |
XNo, known not to cause a problem |
A0 A = Chromosome aberration (EFSA database) 0 = No data ; B0 B = DNA damage/repair (EFSA database) 0 = No data ; C0 C = Gene mutation (EFSA database) 0 = No data ; D0 D = Genome mutation (EFSA database) 0 = No data ; E0 E = Unspecified genotoxicity type (miscellaneous data source) 0 = No data |
XNo, known not to cause a problem |
Reproduction / development effects |
Acetyl cholinesterase inhibitor |
Neurotoxicant |
No data found |
No data found |
✓Yes, known to cause a problem |
Respiratory tract irritant |
Skin irritant |
Skin sensitiser |
No data found |
✓Yes, known to cause a problem |
No data found |
Eye irritant |
Phototoxicant |
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✓Yes, known to cause a problem |
No data found |
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CNS stimulant May cause psychotropic effects Demonstrates anti-inflammatory activity |
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No information available |
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UN1544 |
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caffeine |
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Record last updated: |
22/08/2025 |
Contact: |
aeru@herts.ac.uk |
Please cite as: |
Lewis, K.A., Tzilivakis, J., Warner, D. and Green, A. (2016) An international database for pesticide risk assessments and management. Human and Ecological Risk Assessment: An International Journal, 22(4), 1050-1064. DOI: 10.1080/10807039.2015.1133242 |