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2,3,6-Trimethylphenol

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CAS:2416-94-6
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  • 2026-01-16
  • CAS:2416-94-6
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  • 2,3,6-Trimethylphenol
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  • 2025-06-20
  • CAS:2416-94-6
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  • Purity: 99.50%
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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;Q-Z;Aromatic Phenols
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
pka10.77±0.15(Predicted)
form powder to crystal
color White to Orange to Green
Odorchar. antiseptic odor
Water Solubility 1.42g/L at 25℃
JECFA Number737
Major Applicationflavors and fragrances
Cosmetics Ingredients FunctionsPERFUMING
InChI1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChIKeyQQOMQLYQAXGHSU-UHFFFAOYSA-N
SMILESCc1ccc(C)c(O)c1C
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 TSCA listed
HS Code 2907.19.2000
HazardClass 8
PackingGroup III
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Dam. 1
Skin Irrit. 2
Skin Sens. 1
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.
Production Methods2,3,6-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 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 ExplosibilityNon flammable
Tag:2,3,6-Trimethylphenol(2416-94-6) Related Product Information
BORON TRIFLUORIDE-PHENOL COMPLEX (1:2) 3-Trifluoromethylphenol 4-Trifluoromethylphenol m-Cresol p-Cresol 2,6-Dimethylphenol Xylenol o-Cresol PICRIC ACID 2,3,5-TRIMETHYLPHENOL,2,3,5-Trimethylphenol/TMP/Isopseudocumenol,2,3,5-TRIMETHYLPHENOL PESTANAL, 250 MG,2,3,5-Trimethylphenol, 98+% ATRANORIN β-Tocopherol 2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID Trimethylhydroquinone Mycophenolic acid FUMARPROTOCETRARIC ACID 2,3,5,6-TETRAMETHYL PHENOL Trolox

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