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

2,4,6-trimethyl phenol
2,4,6-trimethylphenol

Supplier Sponsors

CAS Number: 527-60-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-419-2
FDA UNII:FPZ32614N6
Nikkaji Web:J6.671K
Beilstein Number:1859675
MDL:MFCD00002235
XlogP3-AA:2.70 (est)
Molecular Weight:136.19384000
Formula:C9 H12 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:2013 2,4,6-trimethylphenol
FLAVIS Number:04.095 (Old)
DG SANTE Food Flavourings:04.095 2,4,6-trimethylphenol
FEMA Number:4329 2,4,6-trimethylphenol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):527-60-6 ; 2,4,6-TRIMETHYLPHENOL
 
Physical Properties:
Appearance:pale red brown crystalline powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 73.00 to 74.00 °C. @ 760.00 mm Hg
Boiling Point: 220.00 °C. @ 760.00 mm Hg
Boiling Point: 95.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.100000 mmHg @ 25.00 °C. (est)
Flash Point: 206.00 °F. TCC ( 96.67 °C. )
logP (o/w): 2.730
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 1200 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: phenolic
Odor Strength:medium ,
recommend smelling in a 0.10 % solution or less
phenolic coffee
Odor Description:at 0.10 % in propylene glycol. mild phenolic coffee grounds
Flavor Type: phenolic
phenolic coffee
Taste Description: phenolic coffee grounds
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,4,6-Trimethylphenol
Parchem
2,4,6-trimethyl phenol
Penta International
2,4,6-TRIMETHYLPHENOL
Santa Cruz Biotechnology
For experimental / research use only.
2,4,6-Trimethylphenol
Sigma-Aldrich
2,4,6-Trimethylphenol, 99%, FG
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
2,4,6-Trimethylphenol >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns.
S 02 - Keep out of the reach of children.
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
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 10000 mg/kg
Bromatologia i Chemia Toksykologiczna. Vol. 14, Pg. 301, 1981.

intraperitoneal-mouse LD50 > 1000 mg/kg
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0097 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 420 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 23
 average usual ppmaverage maximum ppm
baked goods: 0.100000.50000
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): 1.000005.00000
breakfast cereal: --
cheese: 0.010000.05000
chewing gum: --
condiments / relishes: 0.010000.05000
confectionery froastings: 1.000005.00000
egg products: --
fats / oils: --
fish products: 0.010000.05000
frozen dairy: 0.010000.05000
fruit ices: 0.100000.50000
gelatins / puddings: 0.010000.05000
granulated sugar: --
gravies: 0.010000.05000
hard candy: --
imitation dairy: 0.010000.05000
instant coffee / tea: --
jams / jellies: --
meat products: 0.010000.05000
milk products: 0.010000.05000
nut products: --
other grains: --
poultry: 0.010000.05000
processed fruits: 0.010000.05000
processed vegetables: 0.010000.05000
reconstituted vegetables: --
seasonings / flavors: 0.010000.05000
snack foods: 0.010000.05000
soft candy: --
soups: 0.010000.05000
sugar substitutes: --
sweet sauces: 0.010000.05000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.500002.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.50000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.300001.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.500002.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 2.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.400002.00000
 
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

Flavouring Group Evaluation 60 (FGE.60): Consideration of eugenol and related hydroxyallylbenzene derivatives evaluated by JECFA (65th meeting) structurally related to ring- substituted phenolic substances evaluated by EFSA in FGE.22 (2006)
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
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):527-60-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10698
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2430
WGK Germany:2
2,4,6-trimethylphenol
Chemidplus:0000527606
RTECS:OX6590000 for cas# 527-60-6
 
References:
 2,4,6-trimethylphenol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:527-60-6
Pubchem (cid):10698
Pubchem (sid):134978605
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32544
FooDB:FDB010421
Export Tariff Code:2907.19.5000
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:2,4,6-Trimethylphenol
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 prunus mahaleb
Search Trop Picture
 
Synonyms:
 benzene, 2-hydroxy-1,3,5-trimethyl-
 benzene,1-hydroxy,2,4,6-trimethyl
3,5-dimethyl-4-hydroxytoluene
1-hydroxy-2,4,6-trimethyl benzene
1-hydroxy-2,4,6-trimethylbenzene
2-hydroxymesitylene
 mesitol
 mesityl alcohol
 phenol, 2,4,6-trimethyl-
 phenol,2,4,6-trimethyl-
1,3,5-trimethyl phenol
2,4,6-trimethyl-phenol
1,3,5-trimethylphenol
2,3,4-trimethylphenol
2,4,6-trimethylphenol
 
 
Notes:
Used as a food additive [EAFUS]
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