42993
Theobromine
analytical standard
Synonym(s):
2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine
About This Item
Recommended Products
grade
analytical standard
Quality Level
assay
≥99.0% (HPLC)
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable
gas chromatography (GC): suitable
mp
345-350 °C
suitability
conforms to structure for Infrared spectrum
application(s)
cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
format
neat
SMILES string
[H]N1C(N(C)C2=C(N(C)C=N2)C1=O)=O
InChI
1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
InChI key
YAPQBXQYLJRXSA-UHFFFAOYSA-N
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General description
Application
Biochem/physiol Actions
Recommended products
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk_germany
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
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