CAS Number | 83-67-0 |
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Molecular Formula | C7H8N4O2 |
Molecular Weight | 180.168 |
InChI Key | YAPQBXQYLJRXSA-UHFFFAOYSA-N |
LogP | -0.780 |
Synonyms |
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Applications:
UV-Vis Spectrum of Theobromine
June 21, 2024

For optimal results in HPLC analysis, it is recommended to measure absorbance at a wavelength that matches the absorption maximum of the compound(s) being analyzed. The UV spectrum shown can assist in selecting an appropriate wavelength for your analysis. Please note that certain mobile phases and buffers may block wavelengths below 230 nm, rendering absorbance measurement at these wavelengths ineffective. If detection below 230 nm is required, it is recommended to use acetonitrile and water as low UV-transparent mobile phases, with phosphoric acid and its salts, sulfuric acid, and TFA as buffers.
For some compounds, the UV-Vis Spectrum is affected by the pH of the mobile phase. The spectra presented here are measured with an acidic mobile phase that has a pH of 3 or lower.
HPLC Determination of Caffeine, Theophylline and Theobromine in Tea on Primesep SB Column
December 17, 2020
Column | Primesep SB, 3.2×100 mm, 5 µm, 100A |
Mobile Phase | EtOH – 10% |
Buffer | H3PO4 – 0.3% |
Flow Rate | 0.5 ml/min |
Detection | UV, 270 nm |
Class of Compounds |
Xanthine, Hydrophobic, Ionizable |
Analyzing Compounds | Caffeine, Theophylline, Theobromine |
Application Column
Primesep SB
The Primesep family of mixed-mode columns offers a wide variety of stationary phases, boasting unprecedented selectivity in the separation of a broad array of chemical compounds across multiple applications. Corresponding Primesep guard columns, available with all stationary phases, do not require holders. SIELC provides a method development service available to all customers. Inquire about our specially-tailored custom LC-phases for specific separations.
Select optionsTheobromine
Theophylline
Effect of Acid on Separation of Xanthines
July 6, 2003
Primesep B separates xanthines such as theobromine, dimethylxanthine, theophylline by a combination of reversed-phase and ion-exchange mechanisms. The anion-exchange properties of the column allow retention of hydrophilic xanthines, and the reversed-phase properties retain hydrophobic compounds. The HPLC separation uses a mobile phase of water, acetonitrile (MeCN, ACN) and either trifluoroacetic acid (TFA), perchloric acid (HClO4), or sulfuric acid (H2SO4) and UV detection.
Column | Primesep B |
Mobile Phase | MeCN/H2O |
Buffer | TFA , HClO4, H2SO4 |
Flow Rate | 1.0 ml/min |
Detection |
Class of Compounds |
Drug, Acid, Hydrophilic, Ionizable, Hormone |
Analyzing Compounds | Theobromine, 1,7 – Dimethylxanthine, Theophyline |
Application Column
Primesep B
The Primesep family of mixed-mode columns offers a wide variety of stationary phases, boasting unprecedented selectivity in the separation of a broad array of chemical compounds across multiple applications. Corresponding Primesep guard columns, available with all stationary phases, do not require holders. SIELC provides a method development service available to all customers. Inquire about our specially-tailored custom LC-phases for specific separations.
Select optionsTheobromine
Theophylline
Theophylline monohydrate