82-02-0
| Name | KHELLIN |
| CAS | 82-02-0 |
| EINECS(EC#) | 201-392-8 |
| Molecular Formula | C14H12O5 |
| MDL Number | MFCD00005007 |
| Molecular Weight | 260.24 |
| MOL File | 82-02-0.mol |
Chemical Properties
| Melting point | 150154°C |
| Boiling point | 180200°C0.05mm Hg |
| density | 1.1954 (rough estimate) |
| refractive index | 1.4560 (estimate) |
| storage temp. | −20°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | crystalline |
| color | light yellow |
| Water Solubility | 247.2g/L(25 ºC) |
| Merck | 14,5309 |
| BRN | 263185 |
| Major Application | food and beverages |
| InChI | 1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3 |
| InChIKey | HSMPDPBYAYSOBC-UHFFFAOYSA-N |
| SMILES | COc1c2OC(C)=CC(=O)c2c(OC)c3ccoc13 |
| LogP | 1.770 (est) |
| EPA Substance Registry System | Khellin (82-02-0) |
Safety Data
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | LV1050000 |
| HS Code | 2932.99.7000 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity |