W222402

Caffeine

anhydrous, 99%, FCC, FG

• Synonym(s): 1,3,7-Trimethylxanthine
• Empirical Formula (Hill Notation): C₈H₁₀N₄O₂
• CAS Number: 58-08-2
• Molecular Weight: 194.19
• FEMA Number: 2224
• Beilstein: 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

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Halal; Kosher; anhydrous
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 182.1180
• Assay: 99%
• form: powder
• mp: 234-236.5 °C (lit.)
• solubility: H₂O: soluble 18.7 g/L at 16 °C
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: odorless
• SMILES string: CN1C(=O)N(C)c2ncn(C)c2C1=O
• InChI: 1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
• InChI key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
• Gene Information: human ... ADORA1(134) , ADORA2B(136) , ADORA3(140) , PDE4B(5142) ; mouse ... Adora2b(11541) ; rat ... Adora1(29290) , Adora2a(25369)

Description

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.

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Precautionary Statements: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves