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Theobromine, 99%, Thermo Scientific Chemicals

Theobromine, CAS # 83-67-0, is a methylxanthine alkaloid that is present in large quantities in cocoa and is a derivative of caffein.

$157.96 - $331.12

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
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Products 2
Catalog Number Mfr. No. Quantity Packaging Price Quantity  
Catalog Number Mfr. No. Quantity Packaging Price Quantity  
AC258821000
SDS View Documents
Thermo Scientific Chemicals
258821000
100 g Plastic bottle
Each for $157.96
 
AC258822500
SDS View Documents
Thermo Scientific Chemicals
258822500
250 g Plastic bottle
Each for $331.12
 
Description

Description

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

83-67-0
180.17
YAPQBXQYLJRXSA-UHFFFAOYSA-N
5429
3,7-dimethylpurine-2,6-dione
C7H8N4O2
MFCD00022830
theobromine, 3,7-dimethylxanthine, diurobromine, teobromin, theosalvose, theostene, santheose, thesodate, thesal, theobromin
CHEBI:28946
CN1C=NC2=C1C(=O)NC(=O)N2C

Specifications

83-67-0
White
Authentic
Plastic bottle
MFCD00022830
26, 2336
theobromine, 3,7-dimethylxanthine, diurobromine, teobromin, theosalvose, theostene, santheose, thesodate, thesal, theobromin
Solubility in water: slightly soluble. Other solubilities: moderately soluble in ammonia, practically insoluble in benzene, ether, carbon, tetrachloride and chloroform
CN1C=NC2=C1C(=O)NC(=O)N2C
180.17
CHEBI:28946
99%
Theobromine, 99%
290.0°C to 295.0°C
0.5% max. (1 g, 105°C)
99%
C7H8N4O2
100 g
15, 9433
290.0 °C
YAPQBXQYLJRXSA-UHFFFAOYSA-N
3,7-dimethylpurine-2,6-dione
5429
180.17
Fine Powder
Safety and Handling

Safety and Handling

GHS H Statement
Harmful if swallowed.

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.

GHS Signal Word: Warning

EINECSNumber : 201-494-2

RTECSNumber : XH2275000

TSCA : TSCA

SDS
missing translation for 'documents'

missing translation for 'documents'

RUO – Research Use Only