| 2,3,6-Trimethylphenol Basic information |
| Product Name: | 2,3,6-Trimethylphenol |
| Synonyms: | 2,3,6-Trimethylpenol;FEMA 3963;3-HYDROXYPSEUDOCUMENE;2,3,6-TRIMETHYLPHENOL;1-Hydroxy-2,3,6-trimethylbenzene;2,3,6-trimethyl-pheno;Phenol,2,3,6-trimethyl-;Trimethylphenol,95% |
| CAS: | 2416-94-6 |
| MF: | C9H12O |
| MW: | 136.19 |
| EINECS: | 219-330-3 |
| Product Categories: | Phenoles and thiophenoles;Organic Building Blocks;Oxygen Compounds;Phenols;Alphabetical Listings;Flavors and Fragrances;Q-Z;Aromatic Phenols |
| Mol File: | 2416-94-6.mol |
 |
| 2,3,6-Trimethylphenol Chemical Properties |
| Melting point | 59-62 °C(lit.) |
| Boiling point | 215°C |
| density | 0.940 |
| refractive index | 1.5115 (estimate) |
| FEMA | 3963 | 2,3,6-TRIMETHYLPHENOL |
| Fp | 100 |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | methanol: 0.1 g/mL, clear |
| pka | 10.77±0.15(Predicted) |
| form | powder to crystal |
| color | White to Orange to Green |
| Odor | char. antiseptic odor |
| Water Solubility | 1.42g/L at 25℃ |
| JECFA Number | 737 |
| InChIKey | QQOMQLYQAXGHSU-UHFFFAOYSA-N |
| LogP | 2.80 |
| CAS DataBase Reference | 2416-94-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 2,3,6-trimethyl-(2416-94-6) |
| EPA Substance Registry System | 2,3,6-Trimethylphenol (2416-94-6) |
| Safety Information |
| Hazard Codes | C,Xi |
| Risk Statements | 37/38-41-36/37/38-34-43-38 |
| Safety Statements | 26-39-24/25-45-36/37/39-36/37 |
| RIDADR | UN 2430 8/PG 3 |
| WGK Germany | 1 |
| TSCA | Yes |
| HS Code | 2907.19.2000 |
| HazardClass | 8 |
| PackingGroup | III |
| Hazardous Substances Data | 2416-94-6(Hazardous Substances Data) |
| Provider | Language |
|---|---|
| 2,3,6-Trimethylphenol | English |
| SigmaAldrich | English |
| 2,3,6-Trimethylphenol Usage And Synthesis |
| Chemical Properties | White or light yellow solid |
| Uses | 2,3,6-Trimethylphenol is used as intermediate for synthetic vitamin E. It is used for manufacturing 2, 3, 5-Trimethylhydroquinone. It is used as intermediate for antioxidants and plastics. It is used as a comonomer for the modification of polyphenylene oxide resins. |
| Definition | ChEBI: 2,3,6-Trimethylphenol is a hydroxytoluene. |
| Aroma threshold values | Aroma characteristics at 1.0%: sharp smoky phenolic, latakia tobaccolike, tarlike, spicy eugenol and slightly cooling. |
| Taste threshold values | Taste characteristics at 5 ppm: phenolic, tobaccolike, tarry, medicinal with burnt and woody nuances. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 37, p. 2340, 1972 DOI: 10.1021/jo00979a029 |
| Flammability and Explosibility | Nonflammable |
| 2,3,6-Trimethylphenol Preparation Products And Raw materials |