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Theobromine, 99%
Theobromine, CAS # 83-67-0, is a methylxanthine alkaloid that is present in large quantities in cocoa and is a derivative of caffein. | CAS: 83-67-0 | C7H8N4O2 | 180.17 g/mol
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Catalog number 258820010
Price (EUR)
476,85
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575,00Save 98,15 (17%)
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Estimated availability date Pending
Quantity:
1 kg
Packaging:
Plastic bottle
Price (EUR)
476,85
Online Exclusive
575,00Save 98,15 (17%)
Each
Chemical Identifiers
CAS83-67-0
IUPAC Name3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Molecular FormulaC7H8N4O2
InChI KeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILESCN1C=NC2=C1C(=O)NC(=O)N2C
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Specifications
Specification Sheet
Specification SheetInfrared spectrumConforms
Appearance (Color)White
Appearance (Form)Powder
Titration with NaOH>=98.5 % (On dry substance)
Loss on drying=<0.5 % (1 g, 105°C)
This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
General description
• Theobromine is a methylxanthine alkaloid that is a derivative of caffeine
Applications
• Theobromine is a phosphodiesterase inhibitor, weak adenosine receptor antagonist, and smooth muscle relaxant
• As a catabolic product of caffeine, it has antioxidant and prooxidant properties
• It can be used as a standard for quantification of theobromine
RUO – Research Use Only
General References:
- Johannsen, M.; Brunner, G. Solubilities of the xanthines caffeine, theophylline and theobromine in supercritical carbon dioxide. Fluid Phase Equilibria.,1994, 95(1), 215-226.
- Kreiser, W.R.; Martin, R.A. Jr. High pressure liquid chromatographic determination of theobromine and caffeine in cocoa and chocolate products. J Assoc Off Anal Chem. 1978, 61(6), 1424-1427.
Documents & Downloads
Safety Data Sheets
Safety and Handling
Classification of the substance or mixture
CLP classification - Regulation(EC) No 1272/2008
Acute oral toxicity
Category 4
Label Elements
Signal Word
Warning
Hazard Statements
H302 - Harmful if swallowed
Precautionary Statements
P264 - Wash face, hands and any exposed skin thoroughly after handling
P301 + P330 + P331 - IF SWALLOWED: rinse mouth. Do NOT induce vomiting
P312 - Call a POISON CENTER or doctor if you feel unwell