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Merck

05-0370

Caffeine

SAJ special grade, ≥98.5%

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
EC Number:
200-362-1
UNSPSC Code:
12352005
PubChem Substance ID:
329748014
Beilstein/REAXYS Number:
17705
MDL number:
MFCD00005758

Key Documents

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InChI key

RYYVLZVUVIJVGH-UHFFFAOYSA-N

InChI

1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3

SMILES string

CN1C(=O)N(C)c2ncn(C)c2C1=O

grade

SAJ special grade

assay

≥98.5%

form

crystalline, powder

availability

available only in Japan

mp

234-236.5 °C (lit.)

solubility

H2O: soluble 18.7 g/L at 16 °C

Gene Information

human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140), PDE4B(5142)

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

05-0370-5-500G-J: + 05-0370-2-25G-J:

jan

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Certificates of Analysis (COA)

Lot/Batch Number
U2532
U3351
U1125
U5929
U1580

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CONSORT extension for reporting N-of-1 trials (CENT) 2015: Explanation and elaboration.
Larissa Shamseer et al.
BMJ (Clinical research ed.), 350, h1793-h1793 (2015-05-16)
Louise A Horrigan et al.
Pharmacology & therapeutics, 111(3), 877-892 (2006-03-17)
Caffeine is a member of the methylxanthine family of drugs, and is the most widely consumed behaviourally active substance in the western world. This article is focused on the impact of caffeine on immune function. In this regard, a number
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
Pierre Ayotte et al.
Environmental health perspectives, 113(10), 1318-1324 (2005-10-06)
The Lower North Shore region of the St. Lawrence River is home to a fish-eating population that displays an unusually high body burden of several organochlorines, including polychlorinated biphenyls (PCBs) and dioxin-like compounds (DLCs). We measured biomarkers indicative of liver
Nicolas Bousette et al.
Journal of cellular physiology, 229(3), 374-383 (2013-09-17)
Calnexin (CNX) is an endoplasmic reticulum (ER) quality control chaperone that has been implicated in ER stress. ER stress is a prominent pathological feature of various pathologic conditions, including cardiovascular diseases. However, the role of CNX and ER stress has
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