We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

ortho-thioguaiacol

Chemical Structure

General Material Information

Preferred name ortho-thioguaiacol
Trivial Name 2-Methoxybenzenethiol
Short Description 2-mercaptoanisole
Formula C7 H8 O S
CAS Number 7217-59-6
FEMA Number 4159
Flavis Number 12.139
ECHA Number 230-605-7
FDA UNII 90HAL41673
Nikkaji Number J149.909B
Beilstein Number 2042178
MDL MFCD00004834
COE Number 11880
NMR Predictor External link
JECFA Food Flavoring 1666 2-mercaptoanisole
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7217-59-6 ; 2-MERCAPTOANISOLE
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
  • 2-Methoxybenzenethiol
  • o-Methoxybenzenethiol
  • 2-Methoxythiophenol
  • 2-Mercaptoanisole
  • o-Methoxythiophenol
  • 2-(Methoxy)benzothiol
  • 2-Methoxyphenylthiol
  • 2-Methoxybenzene-1-thiol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Literature & References

2-methoxybenzenethiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7217-59-6
Pubchem (cid):23642
Pubchem (sid):134986812
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines
Flavoring agent

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32571
FooDB:FDB010506
Export Tariff Code:2930.90.2900
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.20495605469
Specific gravity @ 25 °C
Pounds per Gallon 9.461 to 9.561
Refractive Index 1.589 to 1.595 @ 20 °C
Vapor Pressure 0.077 mmHg @ 25 °C
Flash Point TCC Value 95.56 °C TCC
logP (o/w) 2.235 est
Solubility
alcohol Yes
propylene glycol Yes
water, 362.7 mg/L @ 25 °C (est) Yes
water No
Stability
stable in most media Unspecified

Organoleptic Properties

Odor Type: Meaty
meaty, sausage smoked sausage, powdery, sweet, spicy, phenolic, sulfurous
Odor strength very high , recommend smelling in a 0.10 % solution or less
Substantivity 400 hour(s) at 1.00 % in propylene glycol
Luebke, William tgsc, (2006) At 1.00 % in propylene glycol. meaty smoked sausage powdery sweet spicy phenolic sulfurous
Flavor Type: Meaty
meaty, sausage smoked sausage, smoky, phenolic
Luebke, William tgsc, (2006) At 1.00 ppm in water. meaty sausage

Potential Uses

Applications
Flavoring purposes Coffee, Dairy, Meat, Meat smoked meat, Savory, Soup

Safety Information

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
Click here to view publication 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
Chewing gum (05.3): --
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

Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
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