C-082

Caffeine-¹³C₃ solution

1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant^®

• Synonym(s): Caffeine-trimethyl-¹³C₃ solution
• Empirical Formula (Hill Notation): ¹³C₃C₅H₁₀N₄O₂
• Molecular Weight: 197.17
• EC Number: 200-659-6
• MDL number: MFCD00143899
• UNSPSC Code: 41116107
• PubChem Substance ID: 329774821
• NACRES: NA.24

Properties

• grade: certified reference material
• form: liquid
• feature: SNAP-N-SPIKE^®, SNAP-N-SHOOT^®
• packaging: ampule of 1 mL
• manufacturer/tradename: Cerilliant^®
• concentration: 1.0 mg/mL in methanol
• technique(s): gas chromatography (GC): suitable; liquid chromatography (LC): suitable
• application(s): forensics and toxicology
• format: single component solution
• storage temp.: −20°C
• SMILES string: [13CH3]N1C(=O)N([13CH3])c2ncn([13CH3])c2C1=O
• InChI: 1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1
• InChI key: RYYVLZVUVIJVGH-VMIGTVKRSA-N

Description

General description

A stable-labeled internal standard suitable for quantitation of caffeine levels in urine, serum, plasma, or dietary supplements by LC/MS or GC/MS for urine drug testing, clinical toxicology, dietary supplement testing. or isotope dilution methods. Caffeine is an alkaloid compound found naturally in many plants. Caffeine is a central nervous system (CNS) and metabolic stimulant as well as a diuretic.

Application

• Caffeine-¹³C₃ isotopic standard for mass spectrometry: Recent research in "Physical Chemistry Chemical Physics" leverages the stable isotopic properties of Caffeine-¹³C₃ to explore the photo-deactivation processes of isothiazolinones, highlighting its utility in tracing environmental contaminants through advanced non-adiabatic dynamics investigations (de Araújo et al., 2024).


• Stable isotope-labeled caffeine for metabolic studies: "ACS Applied Materials & Interfaces" features a study employing Caffeine-¹³C₃ to enhance the sensitivity of terahertz detection in monolayer materials, demonstrating its application in precise quantum sensing and material characterization (Wang and Yu, 2024).


• ¹³C-labeled caffeine solution for pharmaceutical research: "JMIR Medical Education" utilized Caffeine-¹³C₃ in biostatistics education through interactive simulations, indicating its significance in educational frameworks for pharmaceutical research, particularly in statistical data analysis and interpretation (Thiesmeier and Orsini, 2024).


• High-purity ¹³C₃ caffeine analytical reference material: Research published in "The Journal of Physical Chemistry Letters" explores the proximity-induced exchange interactions using Caffeine-¹³C₃, paving new pathways for quantum sensing technologies by utilizing stable isotopic labels in experimental setups (Shen et al., 2024).


• Caffeine-¹³C₃ for bioanalytical method development: "Nano Letters" discusses the use of Caffeine-¹³C₃ in studying the topology-engineered orbital Hall effect in two-dimensional ferromagnets, illustrating its role in cutting-edge nanotechnology research and materials science (Chen et al., 2024).

Legal Information

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany

Snap-N-Shoot is a registered trademark of Cerilliant Corporation

Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS02,GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H225,H301 + H311 + H331,H370
• Precautionary Statements: P210 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
• Target Organs: Eyes
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 49.5 °F - closed cup
• Flash Point(C): 9.7 °C - closed cup