
2416-94-6
| Name | 2,3,6-Trimethylphenol |
| CAS | 2416-94-6 |
| EINECS(EC#) | 219-330-3 |
| Molecular Formula | C9H12O |
| MDL Number | MFCD00002229 |
| Molecular Weight | 136.19 |
| MOL File | 2416-94-6.mol |
Chemical Properties
| Melting point | 59-62 °C(lit.) |
| Boiling point | 215°C |
| density | 0.940 |
| FEMA | 3963 |
| refractive index | 1.5115 (estimate) |
| Fp | 100 |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | methanol: 0.1 g/mL, clear |
| form | powder to crystal |
| pka | 10.77±0.15(Predicted) |
| color | White to Orange to Green |
| Odor | char. antiseptic odor |
| Water Solubility | 1.42g/L at 25℃ |
| JECFA Number | 737 |
| Henry's Law Constant | 2.5×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3 |
| InChIKey | QQOMQLYQAXGHSU-UHFFFAOYSA-N |
Safety Data
| Symbol(GHS) | ![]() ![]() GHS07,GHS05 |
| Signal word | Danger |
| Hazard statements | H315-H317-H318-H314 |
| Precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P501a-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338 |
| Hazard Codes | C,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2430 8/PG 3 |
| WGK Germany | 1 |
| TSCA | Yes |
| HS Code | 2907.19.2000 |
| REACH Registrations | Active |
| HazardClass | 8 |
| PackingGroup | III |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Dam. 1 Skin Irrit. 2 Skin Sens. 1 |
| Hazardous Substances Data | 2416-94-6(Hazardous Substances Data) |

