Theobromine, 99%

Description

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

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

Specifications

Chemical Identifiers

• CAS: 83-67-0
• Molecular Formula: C₇H₈N₄O₂
• Molecular Weight (g/mol): 180.17
• MDL Number: MFCD00022830
• InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N
• Synonym: theobromine, 3,7-dimethylxanthine, diurobromine, teobromin, theosalvose, theostene, santheose, thesodate, thesal, theobromin
• PubChem CID: 5429
• ChEBI: CHEBI:28946
• IUPAC Name: 3,7-dimethylpurine-2,6-dione
• SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

• Melting Point: 290.0°C to 295.0°C
• Color: White
• Loss on Drying: 0.5% max. (1 g, 105°C)
• Infrared Spectrum: Authentic
• Assay Percent Range: 99%
• Packaging: Plastic bottle
• Quantity: 100 g
• Beilstein: 26, 2336
• Merck Index: 15, 9433
• Solubility Information: Solubility in water: slightly soluble. Other solubilities: moderately soluble in ammonia, practically insoluble in benzene, ether, carbon, tetrachloride and chloroform
• Sublimation Point: 290.0 °C
• Formula Weight: 180.17
• Percent Purity: 99%
• Physical Form: Fine Powder
• Chemical Name or Material: Theobromine, 99%

Safety and Handling

Hazard Category	GHS Signal Word: Warning
Hazard Statement	GHS H Statement Harmful if swallowed.
Precautionary Statement	GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. Call a POISON CENTER or doctor/physician if you feel unwell. Wash face,hands and any exposed skin thoroughly after handling.
EINECSNumber	201-494-2
RTECSNumber	XH2275000
TSCA	TSCA

SDS

RUO – Research Use Only