Product

2,3,6-Trimethylphenol

CAS No.：2416-94-6

Other grades of this product :

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

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
Fp	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
Water Solubility	1.42g/L at 25℃
JECFA Number	737
InChIKey	QQOMQLYQAXGHSU-UHFFFAOYSA-N
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

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
HazardClass	8
PackingGroup	III
Hazardous Substances Data	2416-94-6(Hazardous Substances Data)

MSDS Information

Provider	Language
2,3,6-Trimethylphenol	English
SigmaAldrich	English

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.
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	Nonflammable

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

Raw materials

4-Methyl-2-pentanone-->3-Pentanone-->2,5,6-trimethylcyclohex-2-en-1-one-->1-(Trimethylsilyl)-1-propyne-->2,5-Dimethylphenol-->Methanol-->2,3-dimethylphenol-->2,5-Dimethylfuran-->m-Cresol-->Propyne

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