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: 2024-11-19 20:33:22

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.