2,4,6-Trimethylphenol
Synonym(s):Mesitol
- CAS NO.：527-60-6
- Empirical Formula: C9H12O
- Molecular Weight: 136.19
- MDL number: MFCD00002235
- EINECS: 208-419-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-30 21:22:42
What is 2,4,6-Trimethylphenol?
Chemical properties
BEIGE CRYSTALLINE NEEDLES
Production Methods
2,4,6-Trimethylphenol is the main product (more than 80%) of the gas phase alkylation of phenol with excess methanol (molar ratio 1 : 5) at 450 ℃ on magnesium oxide catalysts, which are doped with alkali or other metal oxides (e.g., V2O5, SrO). 2,6-Xylenol and 2,3,4,6-tetramethylphenol are the main byproducts.
Synthesis Reference(s)
Journal of the American Chemical Society, 107, p. 1060, 1985 DOI: 10.1021/ja00290a053
Synthetic Communications, 18, p. 1207, 1988 DOI: 10.1080/00397918808060912
Flammability and Explosibility
Not classified
Purification Methods
Crystallise the phenol from water and sublime it in vacuo. [Beilstein 6 IV 3253.]
Properties of 2,4,6-Trimethylphenol
| Melting point: | 70-72 °C(lit.) |
| Boiling point: | 220 °C(lit.) |
| Density | 0.9809 (estimate) |
| vapor pressure | 3.86Pa at 25℃ |
| refractive index | 1.5148 (estimate) |
| FEMA | 4329 | 2,4,6-TRIMETHYLPHENOL |
| Flash point: | 220-221°C |
| storage temp. | under inert gas (argon) |
| form | Crystalline Needles |
| pka | pK1:10.88 (25°C) |
| color | Beige |
| Odor | at 0.10 % in propylene glycol. mild phenolic coffee grounds |
| Water Solubility | 1.008g/L(25 ºC) |
| JECFA Number | 2013 |
| BRN | 1859675 |
| CAS DataBase Reference | 527-60-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 2,4,6-trimethyl-(527-60-6) |
| EPA Substance Registry System | 2,4,6-Trimethylphenol (527-60-6) |
Safety information for 2,4,6-Trimethylphenol
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H373:Specific target organ toxicity, repeated exposure H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P314:Get medical advice/attention if you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2,4,6-Trimethylphenol
New Products
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