2,3,6-Trimethylphenol
- CAS NO.:2416-94-6
- Empirical Formula: C9H12O
- Molecular Weight: 136.19
- MDL number: MFCD00002229
- EINECS: 219-330-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-13 12:20:35
What is 2,3,6-Trimethylphenol?
Chemical properties
White or light yellow solid
The Uses of 2,3,6-Trimethylphenol
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.
Production Methods
2,3,6-Trimethylphenol is produced selectively by gas phase methylation of m-cresol with methanol at 300–460 ℃ under normal pressure on ortho-selective metal oxide catalysts, as used for the selective methylation of phenol. The reaction occurs in multitube reactors with a fixed catalyst. The reaction temperature to be maintained depends on the catalyst used in each case. Iron oxide catalysts modified with oxides of other metals (e.g., Zn, Cr and Sn, or Mg and Si) are particularly suitable for the process.
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
Non flammable
Properties of 2,3,6-Trimethylphenol
Melting point: | 59-62 °C(lit.) |
Boiling point: | 215°C |
Density | 0.940 |
refractive index | 1.5115 (estimate) |
FEMA | 3963 | 2,3,6-TRIMETHYLPHENOL |
Flash point: | 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 |
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 for 2,3,6-Trimethylphenol
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H314:Skin corrosion/irritation H315:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P501:Dispose of contents/container to..… |
Computed Descriptors for 2,3,6-Trimethylphenol
InChIKey | QQOMQLYQAXGHSU-UHFFFAOYSA-N |
Abamectin manufacturer
SI Group India Limited
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