C7731

Caffeine

meets USP testing specifications, anhydrous

• Synonym(s): 1,3,7-Trimethylxanthine
• Empirical Formula (Hill Notation): C₈H₁₀N₄O₂
• CAS Number: 58-08-2
• Molecular Weight: 194.19
• Beilstein: 17705
• EC Number: 200-362-1
• MDL number: MFCD00005758
• UNSPSC Code: 12352210
• PubChem Substance ID: 24892984
• NACRES: NA.21
• Grade: anhydrous
• Agency: USP/NF; meets USP testing specifications

Properties

• grade: anhydrous
• Quality Level: 200
• Agency: USP/NF; meets USP testing specifications
• form: crystalline; powder
• mp: 234-236.5 °C (lit.)
• solubility: H₂O: soluble 18.7 g/L at 16 °C
• 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), ADORA2A(135), ADORA2B(136), ADORA3(140), PDE4B(5142) ; mouse ... Adora2b(11541) ; rat ... Adora1(29290), Adora2a(25369)

Description

General description

Caffeine is a commonly consumed pharmacologically active substance. It is a member of the class of methylxanthines. It is a natural alkaloid found in coffee, cocoa and other plants. Caffeine might be linked to osteoporosis, cardiovascular risk, arrhythmia and gastrointestinal disturbances. Caffeine is used to treat orthostatic hypotension, bronchopulmonary dysplasia and apnea of prematurity (AOP).

Application

Caffeine has been used:

• to functionally disable Ca²⁺ removal via sarco/endoplasmic reticulum Ca²⁺ ATPase (SERCA)
• to determine its effects in overcoming excitation-contraction-coupling failure
• to compare its role as a stimulant with guarana

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Precautionary Statements: P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves