C7731

Caffeine

meets USP testing specifications, anhydrous

• Synonym(s): 1,3,7-Trimethylxanthine
• Linear Formula: CH₃(CH₃)C₆H₄N₄O₂
• CAS Number: 58-08-2
• Molecular Weight: 194.19
• UNSPSC Code: 12352210
• NACRES: NA.21
• PubChem Substance ID: 24892984
• EC Number: 200-362-1
• Beilstein/REAXYS Number: 17705
• MDL number: MFCD00005758
• Grade: anhydrous
• Agency: USP/NF, meets USP testing specifications

Properties

• grade: anhydrous
• Quality Segment: 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 Codes: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• PPE (personal protective equipment): dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Precautionary Statements: P264 - P270 - P301 + P312 - P501
• Storage Class: 11 - Combustible Solids