ortho-thioguaiacol
2-mercaptoanisole

Sponsors

Flavor Demo Formulas
Name: 2-methoxybenzenethiol
CAS Number: 7217-59-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 230-605-7
FDA UNII: 90HAL41673
Nikkaji Web: J149.909B
Beilstein Number: 2042178
MDL: MFCD00004834
CoE Number: 11880
XlogP3: 2.30 (est)
Molecular Weight: 140.20496000
Formula: C7 H8 O 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: 1666 2-mercaptoanisole
Flavis Number: 12.139 (Old)
DG SANTE Food Flavourings: 12.139 2-mercaptoanisole
FEMA Number: 4159 2-mercaptoanisole
FDA Mainterm: 2-MERCAPTOANISOLE
 
Physical Properties:
Appearance: pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 1.13700 to 1.14900 25.00 °C.
Pounds per Gallon - (est).: 9.461 to 9.561
Refractive Index: 1.58900 to 1.59500 @ 20.00 °C.
Boiling Point: 99.00 °C. @ 8.00 mm Hg
Boiling Point: 227.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.077000 mm/Hg @ 25.00 °C. (est)
Flash Point: 204.00 °F. TCC ( 95.56 °C. )
logP (o/w): 2.235 (est)
Soluble in:
 alcohol
 propylene glycol
 water, 362.7 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 stable in most media
 
Organoleptic Properties:
Odor Type: meaty
Odor Strength: very high ,
recommend smelling in a 0.10 % solution or less
Substantivity: 400 hour(s) at 1.00 % in propylene glycol
 meaty sausage smoked sausage powdery sweet spicy phenolic sulfurous
Odor Description:
at 1.00 % in propylene glycol.
meaty smoked sausage powdery sweet spicy phenolic sulfurous
Luebke, William tgsc, (2006)
Flavor Type: meaty
 meaty sausage smoked sausage smoky phenolic
Taste Description:
at 1.00 ppm in water.
meaty sausage
Luebke, William tgsc, (2006)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
2-Methoxythiophenol
BOC Sciences
For experimental / research use only.
2-Methoxythiophenol
Endeavour Specialty Chemicals
2-Methoxythiophenol 98% F&F
Speciality Chemical Product Groups
Penta International
2-METHOXYTHIOPHENOL, Kosher
Robinson Brothers
2-Methoxythiophenol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-Methoxythiophenol
Sigma-Aldrich
2-Methoxythiophenol, ≥97%, FG
Odor: caramel; coffee; smoky
Certified Food Grade Products
Synerzine
2-Methoxythiophenol
TCI AMERICA
For experimental / research use only.
2-Methoxybenzenethiol >98.0%(GC)
Treatt
2-Mercaptoanisole
Kosher
Odor: Roast barley; earthy, coffee
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
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 37/39 - Wear suitable 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 1740 mg/kg
BEHAVIORAL: ATAXIA BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Food and Cosmetics Toxicology. Vol. 19, Pg. 753, 1981.

oral-mouse LD50 1560 mg/kg
BEHAVIORAL: ATAXIA BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Food and Cosmetics Toxicology. Vol. 19, Pg. 753, 1981.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for ortho-thioguaiacol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.50 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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: 22
 average usual ppmaverage maximum ppm
baked goods: 0.400002.00000
beverages(nonalcoholic): 0.200001.00000
beverages(alcoholic): --
breakfast cereal: 0.200001.00000
cheese: 0.400002.00000
chewing gum: --
condiments / relishes: 0.200001.00000
confectionery froastings: 0.400002.00000
egg products: --
fats / oils: 0.200001.00000
fish products: 0.100000.40000
frozen dairy: 0.400002.00000
fruit ices: 0.400002.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: 0.400002.00000
instant coffee / tea: --
jams / jellies: --
meat products: 0.100000.40000
milk products: 0.400002.00000
nut products: --
other grains: 0.200001.00000
poultry: 0.100000.40000
processed fruits: 0.300001.50000
processed vegetables: 0.300001.50000
reconstituted vegetables: --
seasonings / flavors: 0.200001.00000
snack foods: --
soft candy: --
soups: 0.200001.00000
sugar substitutes: --
sweet sauces: 0.200001.00000
 
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): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
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):
Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf
EPI System: View
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 7217-59-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 23642
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3334
WGK Germany: 3
 2-methoxybenzenethiol
Chemidplus: 0007217596
RTECS: DC1790000 for cas# 7217-59-6
 
References:
 2-methoxybenzenethiol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7217-59-6
Pubchem (cid): 23642
Pubchem (sid): 134986812
 
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 Everything Added to Food in the United States (EAFUS): View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB32571
FooDB: FDB010506
Export Tariff Code: 2930.90.2900
ChemSpider: View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
gamma-
aminobutyric acid
FL
amyl mercaptan
FL
2-
butyl furan
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
cyclopropyl (E,Z)-2,6-nonadienamide
FL
2,5-
diethyl thiazole
FL
dimethyl tetrasulfide
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
ethyl (E,Z)-2,6-nonadienamide
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
ethyl 4-(acetyl thio) butyrate
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
methyl dihydrofuran thiol
FL
2-
methyl thiazolidine
FL
2-(
methyl thio) ethanol
FL
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
1,3-
propane dithiol
FL
propyl 2-methyl-3-furyl disulfide
FL
iso
propyl disulfide
FL
thiazole
FL
3-
thienyl mercaptan
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
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
1,3-
butane dithiol
FL
3-
tetrahydrothiophenone
FL
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
chemical
2,5-
dimethyl furan
FL
cocoa
butyraldehyde
FL
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
4-
furfuryl thio-2-pentanone
FL
3-
mercapto-3-methyl butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
methyl 3-(methyl thio) furan
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
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
thialdine
FL
ortho-
thiocresol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
nutty
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
nutty thiazole
FL
onion
furfuryl isopropyl sulfide
FL
popcorn
2-
propionyl-2-thiazoline
FL
roasted
hexyl mercaptan
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
sulfurous
2,3-
butane dithiol
FL
S-
ethyl thioacetate
FL
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
roasted butanol
FL
vegetable
tyramine
FL
 
Potential Uses:
 coffeeFL
 dairyFL
 meat 
 meat smoked meat 
 savoryFL
 soup 
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
 benzenethiol, 2-methoxy-
 benzenethiol, o-methoxy-
2-mercaptoanisole
2-methoxy benzenethiol
2-methoxy thiophenol
2-methoxybenzene thiol
o-methoxybenzene thiol
ortho-methoxybenzene thiol
2-methoxybenzene-1-thiol
2-methoxybenzenethiol
o-methoxybenzenethiol
ortho-methoxybenzenethiol
2-methoxythiophenol
o-methoxythiophenol
ortho-methoxythiophenol
o-thioguaiacol
 
 
Notes:
Used as a food additive [EAFUS]
 
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