| Melting point |
178-180 °C (lit.) |
| Boiling point |
280 °C/80 mmHg (lit.) |
| Density |
1.28 g/cm3 (20℃) |
| refractive index |
1.4664 (estimate) |
| Flash point |
-5 °C |
| storage temp. |
room temp |
| solubility |
Chloroform (Slightly), Ethyl Acetate (Slightly) |
| form |
solid |
| color |
Yellow to Dark Yellow |
| Water Solubility |
2.9ug/L(25 ºC) |
| Merck |
13,6072 |
| BRN |
1913890 |
| Henry's Law Constant |
1.9×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Stability |
Stable. Combustible. Incompatible with strong oxidizing agents. |
| Major Application |
environmental |
| InChI |
1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3 |
| InChIKey |
PPQNQXQZIWHJRB-UHFFFAOYSA-N |
| SMILES |
Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25 |
| CAS DataBase Reference |
56-49-5(CAS DataBase Reference) |
| EPA Substance Registry System |
3-Methylcholanthrene (56-49-5) |
