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

Catalog Number	Quantity	Packaging
258820010	1 kg	Plastic bottle

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Catalog number 258820010

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535.00

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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

Specifications

Infrared 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.