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2,3,6-Trimethylphenol

Basic information Safety Supplier Related

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
  • Aromatic Phenols
  • Q-Z
Mol File:
2416-94-6.mol
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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
Flash point:
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)
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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)

MSDS

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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.

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

2,3,6-Trimethylphenol Preparation Products And Raw materials

Raw materials

2,3,6-TrimethylphenolSupplier

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