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HomeProduct name list2,3,6-Trimethylphenol

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
2,3,6-Trimethylphenol Structural

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)
ghs
Corrosion
Corrosives
GHS05
ghs
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

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