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2,3,6-Trimethylphenol

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 Structure
2,3,6-Trimethylphenol Chemical Properties
Melting point 59-62 °C(lit.)
Boiling point 215°C
density 0.940
FEMA 3963 | 2,3,6-TRIMETHYLPHENOL
refractive index 1.5115 (estimate)
Fp 100
storage temp. Inert atmosphere,Room Temperature
solubility methanol: 0.1 g/mL, clear
form powder to crystal
pka10.77±0.15(Predicted)
color White to Orange to Green
Odorchar. antiseptic odor
Water Solubility 1.42g/L at 25℃
JECFA Number737
InChIKeyQQOMQLYQAXGHSU-UHFFFAOYSA-N
LogP2.80
CAS DataBase Reference2416-94-6(CAS DataBase Reference)
NIST Chemistry ReferencePhenol, 2,3,6-trimethyl-(2416-94-6)
EPA Substance Registry System2,3,6-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
HS Code 2907.19.2000
HazardClass 8
PackingGroup III
Hazardous Substances Data2416-94-6(Hazardous Substances Data)
MSDS Information
ProviderLanguage
2,3,6-Trimethylphenol English
SigmaAldrich English
2,3,6-Trimethylphenol Usage And Synthesis
Chemical PropertiesWhite or light yellow solid
Uses2,3,6-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.
DefinitionChEBI: 2,3,6-Trimethylphenol is a hydroxytoluene.
Aroma threshold valuesAroma characteristics at 1.0%: sharp smoky phenolic, latakia tobaccolike, tarlike, spicy eugenol and slightly cooling.
Taste threshold valuesTaste 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 ExplosibilityNonflammable
2,3,6-Trimethylphenol CYNODONTIN BORON TRIFLUORIDE-PHENOL COMPLEX (1:2) PICRIC ACID Trimethylhydroquinone 3-Trifluoromethylphenol 2,3,5-TRIMETHYLPHENOL,2,3,5-Trimethylphenol/TMP/Isopseudocumenol,2,3,5-TRIMETHYLPHENOL PESTANAL, 250 MG,2,3,5-Trimethylphenol, 98+% 1,4-DIHYDROXY-2,3-DIMETHYLANTHRAQUINONE 3-tert-butyl-2-hydroxy-6-methylbenzoic acid 2,6-Dimethylphenol o-Cresol p-Cresol β-Tocopherol 4-Trifluoromethylphenol ATRANORIN THREE METHYL BENZENE m-Cresol Xylenol
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