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Caffeine

certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Synonym(s):

1,3,7-Trimethylxanthine

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About This Item

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:
329758206
NACRES:
NA.24

grade

certified reference material
TraceCERT®

Quality Level

300

product line

TraceCERT®

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

mp

234-236.5 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

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)

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General description

Caffeine is a behaviorally active substance mainly found in beverages like coffee and tea. It can have diverse effects on brain functions.
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Recommended products

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Legal Information

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

Pictograms

Exclamation mark
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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF9557
BCCC1661
BCBS0789V
BCBK0578V
BCBF1317V

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Yuzo Nishizaki et al.
Analytical chemistry, 93(5), 2733-2741 (2021-01-23)
Quantitative 1H nuclear magnetic resonance (qHNMR) is a highly regarded analytical methodology for purity determination as it balances metrological rigor, practicality, and versatility well. While ideal for intrinsically mass-limited samples, external calibration (EC) qHNMR is overshadowed by the prevalence of
Eva Sanchez-Quant et al.
Genome biology, 24(1), 234-234 (2023-10-18)
Xenobiotics are primarily metabolized by hepatocytes in the liver, and primary human hepatocytes are the gold standard model for the assessment of drug efficacy, safety, and toxicity in the early phases of drug development. Recent advances in single-cell genomics demonstrate
Naoko Masumoto et al.
Chemical & pharmaceutical bulletin, 69(1), 18-25 (2021-01-05)
Mogroside V is one of the characteristic and effective components of luohanguo extract, a food additive used as a sweetener in Japan as per Japan's Standards and Specifications for Food Additives (JSFA; 9th ed.). JSFA stipulates that the quantitative determination
Actions of caffeine in the brain with special reference to factors that contribute to its widespread use
Fredholm.BB, et al.
Pharmacological Reviews, 51, 83-133 (1999)
Jonathan M Hodgson et al.
The American journal of clinical nutrition, 97(5), 943-950 (2013-04-05)
Measures of blood pressure variation have been associated with cardiovascular disease and related outcomes. The regular consumption of black tea can lower blood pressure, but its effects on blood pressure variation have yet to be investigated. We aimed to assess
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