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W222402

Sigma-Aldrich

Caffeine

anhydrous, 99%, FCC, FG

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
FEMA Number:
2224
Beilstein:
17705
EC Number:
200-362-1
Council of Europe no.:
11741
MDL number:
MFCD00005758
UNSPSC Code:
12164502
PubChem Substance ID:
24900939
Flavis number:
16.016
NACRES:
NA.21

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)

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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.

Application


  • Anti-hair loss effect of a shampoo containing caffeine and adenosine.: Discusses the efficacy of a shampoo formulated with caffeine and adenosine in reducing hair loss, underscoring caffeine′s role in enhancing hair follicle activity and promoting hair health (Chen et al., 2024).


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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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J M Zen et al.
The Analyst, 123(5), 1145-1147 (1998-08-26)
A Nafion-ruthenium oxide pyrochlore chemically modified electrode is used for the determination of caffeine in beverages by square-wave voltammetry. Compared to a bare glassy carbon electrode, the chemically modified electrode exhibits a marked enhancement of the current response. A linear
Kumiya Sugiyama et al.
Asia Pacific allergy, 5(1), 55-56 (2015-02-06)
We report a rare case of anaphylaxis due to caffeine intake. A 27-year-old woman suffered her first episode of anaphylaxis and a positive skin prick test suggested that the anaphylaxis was due to an IgE-mediated hypersensitivity reaction to caffeine. She
Simon P Roberts et al.
Journal of sports sciences, 28(8), 833-842 (2010-06-04)
In this study, we investigated the effect of ingesting carbohydrate alone or with caffeine on performance of a rugby union-specific shuttle running protocol. On three occasions, at least one week apart in a counterbalanced trial order, eight male rugby union
K S Kendler et al.
The American journal of psychiatry, 156(2), 223-228 (1999-02-16)
Caffeine is by far the most commonly consumed psychoactive substance. The use and abuse of most other licit and illicit psychoactive drugs have been shown to be substantially heritable. However, the impact of genetic factors on caffeine consumption, heavy use
Christopher C Wendler et al.
FASEB journal : official publication of the Federation of American Societies for Experimental Biology, 23(4), 1272-1278 (2008-12-18)
The purpose of this study was to determine both the short-term effects on cardiac development and embryo growth and the long-term effects on cardiac function and body composition of in utero caffeine exposure. Pregnant mice (C57BL/6) were exposed to hypoxia
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