PRODUCT Properties
| Melting point: | 109-112 °C (lit.) |
| Boiling point: | 273.4±23.0 °C(Predicted) |
| Density | 1.29±0.1 g/cm3(Predicted) |
| storage temp. | Hormones |
| solubility | 1 M NaOH: soluble50mg/mL, clear, colorless to light yellow |
| pka | 5.48±0.20(Predicted) |
| Appearance | White to off-white Solid |
| InChI | 1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3 |
| InChIKey | SHBTUGJAKBRBBJ-UHFFFAOYSA-N |
| SMILES | CCN1C(=O)CC(=O)N(CC)C1=S |
| CAS DataBase Reference | 5217-47-0(CAS DataBase Reference) |
| EPA Substance Registry System | 1,3-Diethyl-2-thiobarbituric acid (5217-47-0) |
Description and Uses
1,3-Diethyl-2-thiobarbituric acid (DETBA) was used as coinitiator during the photopolymerization of dental materials. It was used as reagent in electrochemical oxidation of 3,4-dihydroxybenzoic acid to yield benzofuro[2,3-d]pyrimidine derivatives. It was used in DETBA assay for determination of nicotine metabolites in human urine by HPLC.
Safety
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301-H317 |
| Precautionary statements | P280-P301+P310+P330-P302+P352 |
| Hazard Codes | T |
| Risk Statements | 25-43 |
| Safety Statements | 24/25-22-45-36/37 |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29335400 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Skin Sens. 1 |
