EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes

2,3,6-trimethyl phenol

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CAS Number: 2416-94-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-330-3
Nikkaji Web:J116.743J
Beilstein Number:2042207
XlogP3-AA:2.70 (est)
Molecular Weight:136.19384000
Formula:C9 H12 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:737 2,3,6-trimethylphenol
DG SANTE Food Flavourings:04.085 2,3,6-trimethylphenol
DG SANTE Food Contact Materials:2,3,6-trimethylphenol
FEMA Number:3963 2,3,6-trimethylphenol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2416-94-6 ; 2,3,6-TRIMETHYLPHENOL
Physical Properties:
Appearance:white to pale yellow crystalline solid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 63.00 to 64.00 °C. @ 760.00 mm Hg
Boiling Point: 226.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.066000 mmHg @ 25.00 °C. (est)
Flash Point: 212.00 °F. TCC ( 100.00 °C. )
logP (o/w): 2.670
Soluble in:
 water, 1732 mg/L @ 25 °C (est)
 water, 1580 mg/L @ 25 °C (exp)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
For experimental / research use only.
BOC Sciences
For experimental / research use only.
2,3,6-trimethyl phenol
Penta International
Santa Cruz Biotechnology
For experimental / research use only.
For experimental / research use only.
2,3,6-Trimethylphenol >98.0%(GC)
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 01/02 - Keep locked up and out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.30 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 19
Click here to view publication 19
 average usual ppmaverage maximum ppm
baked goods: 1.000003.00000
beverages(nonalcoholic): 0.020000.20000
beverages(alcoholic): 0.100000.50000
breakfast cereal: 0.020000.10000
cheese: 0.040000.40000
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: 0.100000.50000
fats / oils: 0.100000.50000
fish products: --
frozen dairy: 0.100000.50000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100000.50000
hard candy: 0.200001.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100000.50000
milk products: 0.020000.20000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.100000.50000
snack foods: 0.200001.00000
soft candy: --
soups: 0.020000.20000
sugar substitutes: --
sweet sauces: --
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

25th list of substances for food contact materials
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2416-94-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17016
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2416-94-6
Pubchem (cid):17016
Pubchem (sid):134982872
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
FDA Indirect Additives used in Food Contact Substances:View
HMDB (The Human Metabolome Database):HMDB29667
Export Tariff Code:2907.19.2000
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
Search PMC Picture
1-hydroxy-2,3,6-trimethyl benzene
 phenol, 2,3,6-trimethyl-


Google Patents:Production of 2,3,6-trimethylphenol
PubMed:Me3(OMe)tBuXPhos: a surrogate ligand for Me4tBuXPhos in palladium-catalyzed C-N and C-O bond-forming reactions.
PubMed:Hierarchical mesoporous TS-1 zeolite: a highly active and extraordinarily stable catalyst for the selective oxidation of 2,3,6-trimethylphenol.
PubMed:Magnetic and catalytic properties of copper ferrite nanopowders prepared by combustion process.
PubMed:Zr(IV)-monosubstituted Keggin-type dimeric polyoxometalates: synthesis, characterization, catalysis of H2O2-based oxidations, and theoretical study.
PubMed:FTIR spectroscopic study of titanium-containing mesoporous silicate materials.
PubMed:Synthesis, characterization, and reactivity of Ti(IV)-monosubstituted Keggin polyoxometalates.
PubMed:Aerobic oxidation of 2,3,6-trimethylphenol to trimethyl-1,4-benzoquinone with copper(II) chloride as catalyst in ionic liquid and structure of the active species.
PubMed:First isolated active titanium peroxo complex: characterization and theoretical study.
PubMed:Synthesis and anti lipid-peroxidation activity of hydroquinone monoalkyl ethers.
PubMed:Suppression of intestinal smooth muscle contraction by phenolic compounds.
PubMed:Bacterial metabolism of 2,6-xylenol.
Flavouring ingredient
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