W222402 Sigma-Aldrich


anhydrous, 99%, FCC, FG

Synonym: 1,3,7-Trimethylxanthine

  • CAS Number 58-08-2

  • Empirical Formula (Hill Notation) C8H10N4O2

  • Molecular Weight 194.19

  •  FEMA Number 2224

  •  Beilstein/REAXYS Number 17705

  •  EC Number 200-362-1

  •  Council of Europe no. 11741

  •  MDL number MFCD00005758

  •  PubChem Substance ID 24900939

  •  Flavis number 16.016

  •  NACRES NA.21



Related Categories A - D, A-D, Alphabetical Listings, C-D, Certified Food Grade Products,
biological source   synthetic
grade   FG
reg. compliance   FCC
  FDA 21 CFR (182.1180)
  EU Regulation 1334/2008 & 178/2002
assay   99%
form   powder
mp   234-236.5 °C (lit.)
solubility   H2O: soluble 18.7 g/L at 16 °C
Documentation   see Safety & Documentation for available documents
Organoleptic   odorless
food allergen   no known allergens
Gene Information   human ... ADORA1(134), ADORA2B(136), ADORA3(140), PDE4B(5142)
mouse ... Adora2b(11541)
rat ... Adora1(29290), Adora2a(25369)


General description

Caffeine is an addictive psychoactive compound, consumed mostly in the form of brewed coffee, instant coffee, tea and caffeinated soft drinks. Caffeine is reported to be an allergen and causes anaphylaxis. It is added to common analgesics such as paracetamol, ibuprofen and aspirin for enhancing their analgesic efficacy. It is a plant-derived drug and has been detected in low doses in the floral nectar and pollen of Citrus. Determination of caffeine in beverages by square-wave voltammetry using Nafion-ruthenium oxide pyrochlore chemically modified electrode has been reported. Caffeine acts as an antagonist of adenosine A1 receptors (A1R) and A2AR at non-toxic doses. Chronic consumption of caffeine is reported to prevent the memory impairment in type 2 diabetic mice.


Caffeine (1,3,7-Trimethylxanthine) has been used in a study to determine the benefits of co-ingestion of carbohydrate and caffeine on rugby performance.

Caffeine is the suitable reagent used to investigate effect of its exposure during embryogenesis.


1 kg in poly bottle

10, 25 kg in fiber drum

Biochem/physiol Actions

A central nervous system stimulant believed to act through adenosine receptors and monoamine neurotransmitters. It is an adenosine receptor antagonist and adenosine 3′,5′-cyclic monophosphate (cAMP) phosphodiesterase inhibitor. Thus, levels of cAMP increase in cells following treatment with caffeine. It has been reported to affect cellular calcium levels, releasing calcium from intracellular stores. It overrides the cell cycle effects of various chemicals such as protease inhibitors, preventing apoptosis; and it has been shown to inhibit cellular DNA repair mechanisms.

Other Notes

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Safety & Documentation

Safety Information

GHS07  GHS07
Signal word 
Hazard statements 
Personal Protective Equipment 
NONH for all modes of transport
WGK Germany 
Protocols & Articles


Understanding the Complexities of Kosher Ingredients

Introduction What is Kosher Product Considerations for Kosher Certification Kosher's Added Benefit to the Food Industry Sigma-Aldrich's Kosher Experience and Offering
Dr. Luke Grocholl1, Rabbi Gershon Segal

1Dr. Luke Grocholl, Quality Assurance Supervisor, Sigma-Aldrich Flavors & Fragrances
Keywords: Fermentation, Food & Beverage, Safety industry

Related Content

Flavors and Fragrances Quality and Regulatory

From a comprehensive vendor approval process, to the testing of raw material at receipt as well as when product is ready to be shipped; we prove our dedication to supply chain transparency, every day.
Keywords: Allergens, Food Safety, Solvents

Peer-Reviewed Papers


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