PHL89591
Caffeine
phyproof® Reference Substance
Synonym(s):
1,3,7-Trimethylxanthine
About This Item
Recommended Products
grade
primary reference standard
product line
phyproof® Reference Substance
assay
≥98.0% (HPLC)
manufacturer/tradename
PhytoLab
mp
234-236.5 °C (lit.)
application(s)
food and beverages
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
Legal Information
signalword
Warning
hcodes
pcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
13 - Non Combustible Solids
wgk_germany
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
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