Theobromine
SIGMA/T4500 - ≥98.0%
Synonym: 2,6-
CAS Number: 83-67-0
Empirical Formula (Hill Notation): C7H8N4O2
Molecular Weight: 180.16
EC Number: 201-494-2
MDL Number: MFCD00022830
Linear Formula: C7H8N4O2
Product Type: Chemical
assay | ≥98.0% |
InChI | 1S/C7H8N4O2/c1-10-3-8-5-4 |
InChI key | YAPQBXQYLJRXSA-UHFFFAOYSA |
mp | 345-350 °C |
Quality Level | 200 ![]() |
SMILES string | [H]N1C(N(C)C2=C(N(C)C=N2) |
solubility | aqueous base: moderately soluble |
ethanol: slightly soluble | |
H2O: slightly soluble |
Application: | Theobromine has been used: • to test in behavioural assay • as a food or dietary supplement • as a standard for theobromine quantification in brewed coffee samples |
Biochem/physiol Actions: | Phosphosdiesterase inhibitor; weak adenosine receptor antagonist; diuretic; smooth muscle relaxant. |
Biochem/physiol Actions: | Theobromine possesses antitussive action and might be useful in treating acute and chronic cough. It is a catabolic product of caffeine and shows antioxidant and prooxidant properties. |
Features and Benefits: | This compound is a featured product for Cyclic Nucleotide research. Click here ![]() ![]() |
General description: | Theobromine is a methylxanthine alkaloid derivative, highly present in cocoa. |
Packaging: | 25 g in poly bottle |
Preparation Note: | Theobromine is moderately soluble in aqueous base and is slightly soluble in water and ethanol. |
Symbol | ![]() ![]() |
Signal word | Warning |
Hazard statements | H302 - H319 - H351 |
Precautionary statements | P201 - P202 - P264 - P301 + P312 - P305 + P351 + P338 - P308 + P313 |
Hazard Codes | Xn |
Risk Statements | 22 |
RIDADR | NONH for all modes of transport |
WGK Germany | WGK 1 |
Flash Point(F) | Not applicable |
Flash Point(C) | Not applicable |
Purity | ≥98.0% |
mp | 345-350 °C |
UNSPSC | 41106305 |