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  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
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  6. 6.
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ortho-thiocresol

Chemical Structure

General Material Information

Preferred name ortho-thiocresol
Trivial Name 2-Methylbenzenethiol
Short Description o-toluenethiol
Formula C7 H8 S
CAS Number 137-06-4
Deleted CAS Number 1623130-96-0
FEMA Number 3240
Flavis Number 12.027
ECHA Number 205-276-8
FDA UNII 6FU2EGI4VS
Nikkaji Number J5.627H
Beilstein Number 0774068
MDL MFCD00004838
COE Number 2272
NMR Predictor External link
JECFA Food Flavoring 528 o-toluenethiol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 137-06-4 ; O-TOLUENETHIOL
Synonyms
  • benzenethiol, 2-methyl-
  • o- cresyl mercaptan
  • ortho- cresyl mercaptan
  • 2-mercaptotoluene
  • o- mercaptotoluene
  • ortho- mercaptotoluene
  • 2-methyl benzene thiol
  • ortho- methyl benzene thiol
  • 2-methyl benzene-1-thiol
  • 2-methyl phenyl thiol
  • 2-methyl thiophenol
  • 2-methyl(thiophenol)
  • 2-methylbenzene-1-thiol
  • 2-methylbenzenethiol
  • o- methylbenzenethiol
  • 2-methylphenylthiol
  • 2-methylthiophenol
  • 2-thiocresol
  • o- thiocresol
  • 2-toluene thiol
  • ortho- toluene thiol
  • toluene-2-thiol
  • 2-toluenethiol
  • o- toluenethiol
  • ortho- toluenethiol
  • o- tolyl mercaptan
  • ortho- tolyl mercaptan
  • o-Toluenethiol
  • 2-Methylbenzenethiol
  • o-Thiocresol
  • o-Methylbenzenethiol
  • o-Methylthiophenol
  • 2-Methylthiophenol
  • o-Mercaptotoluene
  • 2-Toluenethiol
  • o-Tolyl mercaptan
  • 2-Methylphenylthiol
  • o-Tolylthiol
  • NSC 80655
  • 2-Methylbenzothiol
  • 2-Methylbenzene-1-thiol

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

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Literature & References

2-methylbenzenethiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:137-06-4
Pubchem (cid):8712
Pubchem (sid):134973398
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):HMDB29634
FooDB:FDB000804
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:o-Toluenethiol

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 124.20575714111
Specific gravity @ 20 °C
Pounds per Gallon 8.789 to 8.831
Refractive Index 1.579 to 1.582 @ 20 °C
Melting Point 10 to 13°C @ 760 mm Hg
Boiling Point 194 to 196°C @ 760 mm Hg
Vapor Pressure 0.601 mmHg @ 25 °C
Flash Point TCC Value 63.89 °C TCC
logP (o/w) 2.87 est
Solubility
alcohol Yes
water, 167.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Meaty
meaty, sulfurous, onion, garlic, eggy, rubbery, chemical, naphthyl, musty
General comment At 0.10 % in propylene glycol. meaty sulfurous onion garlic egg rubber
Mosciano, Gerard P&F 14, No. 6, 47, (1989) Meaty,sulfuraceous, onion, garlic, egg, chemical, rubber, naphthyl and musty
Flavor Type: Meaty
meaty, brothy, onion, garlic, chemical, metallic
General comment Meat broth
Mosciano, Gerard P&F 14, No. 6, 47, (1989) At 4.00 ppm. Meaty, onion, garlic, chemical and metallic
Used in snack foods at Meaty

Occurrences

Potential Uses

Applications
Flavoring purposes Beef, Coffee, Garlic, Meat, Onion, Savory, Soup

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to eyes.
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:
intraperitoneal-mouse LD50 100 mg/kg
National Technical Information Service. Vol. AD277-689

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for ortho-thiocresol usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 17.00 (μg/capita/day)
NOEL (No Observed Effect Level): 0.51 (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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: -0.20000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.20000
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):

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

Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):137-06-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8712
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methylbenzenethiol
Chemidplus:0000137064
RTECS:XT8750000 for cas# 137-06-4