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

2,6-dimethyl thiophenol
2,6-dimethyl(thiophenol)

Supplier Sponsors

Name:2,6-dimethylbenzenethiol
CAS Number: 118-72-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:204-272-3
FDA UNII:3A223G78P4
Nikkaji Web:J155.603G
MDL:MFCD00010021
XlogP3-AA:2.80 (est)
Molecular Weight:138.23270000
Formula:C8 H10 S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:530 2,6-dimethyl(thiophenol)
FLAVIS Number:12.082 (Old)
DG SANTE Food Flavourings:12.082 2,6-dimethyl(thiophenol)
FEMA Number:3666 2,6-dimethyl(thiophenol)
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):118-72-9 ; 2,6-DIMETHYLTHIOPHENOL
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.04400 @ 20.00 °C.
Refractive Index:1.52700 to 1.52100 @ 20.00 °C.
Boiling Point: 122.00 °C. @ 50.00 mm Hg
Boiling Point: 218.00 to 219.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.187000 mmHg @ 25.00 °C. (est)
Flash Point: 186.00 °F. TCC ( 85.56 °C. )
logP (o/w): 3.150
Soluble in:
 fats
 water, slightly
 water, 50.36 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous meaty roasted phenolic metallic
Odor Description:at 0.10 % in propylene glycol. sulfury meaty roasted phenolic metallic
meaty roasted phenolic sulfurous smoky
Odor Description:Meaty, roasted, phenolic, sulfurous and smokey
Mosciano, Gerard P&F 21, No. 6, 49, (1996)
Flavor Type: meaty
meaty vegetable nutty sulfurous
Taste Description: Meaty, vegetative and nutty with a slight sulfurous nuance
Mosciano, Gerard P&F 21, No. 6, 49, (1996)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Anhui Haibei
2,6-Dimethyl Thiophenol
Odor: Sulfury meaty roasted phenolic metallic
Anhui Suzhou Jinli Aromatic Chemicals
2,6-Dimethyl-benzenethiol
Odor: meat, vegetable, nut
Beijing Lys Chemicals
2, 6-Dimethylbenzenethiol
BOC Sciences
For experimental / research use only.
2,6-Dimethylthiophenol
DeLong Chemicals America
2,6-Dimethylbenzenethiol
Endeavour Specialty Chemicals
2,6-Dimethylthiophenol 97% F&F
Speciality Chemical Product Groups
Jinan Enlighten Chemical Technology(Wutong Aroma )
O-Toluenethiol 2,6-Dimethyl benzenethiol
Matrix Scientific
For experimental / research use only.
2,6-Dimethylthiophenol, 97%
Penta International
2,6-DIMETHYLTHIOPHENOL
R C Treatt & Co Ltd
2,6-Dimethylthiophenol
Halal, Kosher
Robinson Brothers
2,6-Dimethylthiophenol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2,6-Dimethylbenzenethiol
Sigma-Aldrich
2,6-Dimethylbenzenethiol, ≥95%, FG
Odor: sulfurous
Certified Food Grade Products
Synerzine
2,6-Dimethyl Thiophenol
WholeChem
2,6-Dimethylbenzenethiol
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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.
 
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-rat LD50 [sex: M,F (5/sex/group)] 3150 mg/kg
(Mondino & Peano, 1979a)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2,6-dimethyl thiophenol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.30 (μg/capita/day)
NOEL (No Observed Effect Level): 0.43 (mg/kg bw per day)
Structure Class: II
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: 13
 average usual ppmaverage maximum ppm
baked goods: -3.00000
beverages(nonalcoholic): -0.05000
beverages(alcoholic): -0.05000
breakfast cereal: -3.00000
cheese: -0.50000
chewing gum: -5.00000
condiments / relishes: -0.50000
confectionery froastings: -0.50000
egg products: -0.50000
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -0.25000
granulated sugar: --
gravies: -0.50000
hard candy: -2.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: -0.50000
nut products: -0.50000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -5.00000
soft candy: -1.50000
soups: -2.00000
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):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):118-72-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61045
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2,6-dimethylbenzenethiol
Chemidplus:0000118729
 
References:
 2,6-dimethylbenzenethiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:118-72-9
Pubchem (cid):61045
Pubchem (sid):135018855
 
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):HMDB32019
FooDB:FDB008717
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2,6-Dimethyl(thiophenol)
 
Potential Blenders and core components note
For Odor
No odor group found for these
sulfuryl octanoate
FL/FR
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
sulfuryl propionate
FL/FR
alliaceous
alliaceous
dimethyl trisulfide
FL/FR
burnt
rum ether
FL/FR
caramellic
fenugreek oleoresin
FL/FR
chocolate
chocolate pyrazine A
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2-
methoxy-3-methyl pyrazine
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
corn chip
popcorn pyrimidine
FL/FR
earthy
nutty pyrazine
FL/FR
green
2-
heptyl furan
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfuryl acetate
FL/FR
minty
agathosma crenulata leaf oil
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
hazelnut pyrazine
FL/FR
nutty
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
filbert heptenone
FL/FR
2-
methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
nutty quinoxaline
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
popcorn
2-
acetyl thiazole
FL/FR
roasted
fenugreek resinoid
FL/FR
2-
methyl-1-butanol
FL/FR
sulfurous
benzothiazole
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl 3-mercaptobutyrate
FL/FR
ethyl 3-mercaptopropionate
FL/FR
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
vegetable
mesityl oxide
FL/FR
woody
2-
methoxy-4-vinyl phenol
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
(E)-
aconitic acid
FL
gamma-
aminobutyric acid
FL
amyl mercaptan
FL
benzyl methyl sulfide
FL
1,2-
butane dithiol
FL
2-
butenoic acid
FL
2-iso
butyl-4,5-dimethyl oxazole
FL
2(4)-iso
butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
chocolate pyrazine A
FL/FR
cyclopropyl (E,Z)-2,6-nonadienamide
FL
2,5-
diethyl thiazole
FL
3,6-
diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL
6,7-
dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL
dimethyl dihydrocyclopentapyrazine
FL
dimethyl tetrasulfide
FL
2,5-
dimethyl thiazole
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
ethyl (E,Z)-2,6-nonadienamide
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
ethyl 3-mercaptobutyrate
FL/FR
ethyl 3-mercaptopropionate
FL/FR
ethyl 4-(acetyl thio) butyrate
FL
3-(
ethyl thio) butanol
FL
2-
ethyl-3-methyl thiopyrazine
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
3-
mercapto-3-methyl butyl formate
FL
methyl 2-(methyl thio) acetate
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl dihydrofuran thiol
FL
2-
methyl thiazolidine
FL
2-(
methyl thio) ethanol
FL
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-1-butane thiol
FL
2-
methyl-1-butanol
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2-
methyl-3-furyl tetrasulfide
FL
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
1,9-
nonane dithiol
FL
peanut dithiazine
FL
1-
phenethyl mercaptan
FL
1-
phenyl-3(5)-propyl pyrazole
FL
prenyl mercaptan
FL
1,3-
propane dithiol
FL
3-iso
propenyl pentane dioic acid
FL
2-
propionyl pyrrole
FL
propionyl pyrroline 1% in vegatable oil triglyceride
FL
propyl 2-methyl-3-furyl disulfide
FL
iso
propyl disulfide
FL
propyl propane thiosulfonate
FL
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
3-
thienyl mercaptan
FL
thioacetic acid
FL
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
S-
allyl-laevo-cysteine
FL
N-(2-(3,4-
dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
4-
mercapto-2-pentanone 1% in acetoin
FL
(±)-3-(
methyl thio) heptanal
FL
3-(
methyl thio) methyl thiophene
FL
2-
methyl-1-methyl thio-2-butene
FL
4-
pentenal
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
sulfuryl formate
FL
sulfuryl octanoate
FL/FR
sulfuryl propionate
FL/FR
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
allyl mercaptan
FL
1,3-
butane dithiol
FL
dimethyl trisulfide
FL/FR
3-
mercapto-2-pentanone
FL
3-
tetrahydrothiophenone
FL
bitter
methyl ethoxypyrazine
FL
brown
fenugreek oleoresin
FL/FR
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
rum ether
FL/FR
caramellic
fenugreek resinoid
FL/FR
chemical
2,5-
dimethyl furan
FL
cocoa
butyraldehyde
FL
coffee
coffee difuran
FL/FR
2,4-
dimethyl thiazole
FL
furfuryl mercaptan
FL/FR
2-
thiophene thiol
FL
corn chip
2-
acetyl thiazole
FL/FR
popcorn pyrimidine
FL/FR
creamy
2,5-
dimethyl-3-thioisovaleryl furan
FL
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
4,5-
dimethyl-2-propyl oxazole
FL
2-
heptyl furan
FL/FR
4-
methyl nonanoic acid
FL/FR
fishy
4,5-
dimethyl thiazole
FL
green
2,5-
dimethyl-4-ethyl oxazole
FL
2-
hexyl pyridine
FL
4-
methyl thiazole
FL
olive flavor
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
benzothiazole
FL/FR
2,5-
dimethyl-3-furan thiol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
furfuryl 2-methyl-3-furyl disulfide
FL
4-
furfuryl thio-2-pentanone
FL
meaty dithiane
FL/FR
(R,S)-2-
mercapto-3-butanol
FL
3-
mercapto-3-methyl butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
methyl thiofuryl butanal
FL
12-
methyl tridecanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
phenyl mercaptan
FL
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
minty
agathosma crenulata leaf oil
FL/FR
mustard
furfuryl methyl ether
FL
musty
2,5-
dimethyl pyrazine
FL/FR
2-
ethoxythiazole
FL
hazelnut pyrazine
FL/FR
propionaldehyde
FL
2,3,5-
trimethyl pyrazine
FL/FR
nutty
3-
acetyl-2,5-dimethyl furan
FL/FR
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
aconitic acid
FL
2-
butyl-2-butenal
FL
3,6-
cocoa pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
2,6-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
ethyl-6-methyl pyrazine
FL
filbert heptenone
FL/FR
macadamia distillates
FL
2-
methoxy-3-methyl pyrazine
FL/FR
2-
methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
nutty pyrazine
FL/FR
nutty quinoxaline
FL/FR
nutty thiazole
FL
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
phenolic
2-
ethyl benzene thiol
FL
popcorn
2-
propionyl-2-thiazoline
FL
potato
mesityl oxide
FL/FR
roasted
3,5-
diisobutyl-1,2,4-trithiolane
FL
furfuryl thioacetate
FL/FR
gluconyl ethanolamine
FL
gluconyl ethanolamine phosphate
FL
hexyl mercaptan
FL
lactoyl ethanolamine
FL
lactoyl ethanolamine phosphate
FL
methyl isopentyl disulfide
FL
savory
N-(2,4-
dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N-(
heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL
smoky
2-
methoxy-4-vinyl phenol
FL/FR
sulfurous
2,3-
butane dithiol
FL
S-
ethyl thioacetate
FL
fish thiol
FL/FR
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
roasted butanol
FL
2-
thienyl mercaptan
FL
2,4,6-
trithiaheptane 10% in triacetin
FL
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FLbeef
FLbroth
FLmeat
 
Occurrence (nature, food, other):note
 beef boiled beef
Search PMC Picture
 
Synonyms:
 benzenethiol, 2,6-dimethyl-
2,6-dimethyl benzene thiol
2,6-dimethyl phenyl thiol
2,6-dimethyl-benzenethiol
2,6-dimethyl(thiophenol)
2,6-dimethylbenzenethiol
2,6-dimethylbenzenthiol
2,6-dimethylphenylthiol
2,6-dimethylthiophenol
2,6-xylene thiol
2,6-xylenethiol
2,6-xylyl mercaptan
 
 
Notes:
Present in boiled beef. Flavouring ingredient
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