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2-ethyl benzene thiol

Chemical Structure

General Material Information

Preferred name 2-ethyl benzene thiol
Trivial Name 2-Ethylbenzenethiol
Short Description 2-(ethylthio)phenol
Formula C8 H10 S
CAS Number 4500-58-7
FEMA Number 3345
Flavis Number 12.054
ECHA Number 224-811-6
FDA UNII 62GBU45I5P
Nikkaji Number J205.879K
MDL MFCD00010022
COE Number 11666
NMR Predictor External link
JECFA Food Flavoring 529 2-ethylthiophenol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 4500-58-7 ; 2-ETHYLTHIOPHENOL
Synonyms
  • benzenethiol, 2-ethyl-
  • benzenethiol, O-ethyl-
  • 2-ethyIthiophenol
  • o- ethyl benzene thiol
  • ortho- ethyl benzene thiol
  • 2-ethyl benzenethiol
  • o- ethyl benzenethiol
  • 2-ethyl phenyl mercaptan
  • 2-ethyl thiophenol
  • 2-ethyl thiophenol (syn)
  • 2-ethyl(thiophenol)
  • 2-ethylbenzenethiol
  • o- ethylbenzenethiol
  • ethylbenzenethiol, o-
  • 2-ethylphenyl mercaptan
  • 2-ethylphenylmercaptan
  • 2-( ethylthio)phenol
  • 2-ethylthiophenol (food grade)
  • 2-Ethylbenzenethiol
  • o-Ethylbenzenethiol
  • 2-Ethylbenzothiol
  • 2-Ethylthiophenol

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

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Literature & References

2-ethylbenzenethiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4500-58-7
Pubchem (cid):3734338
Pubchem (sid):135263854
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
HMDB (The Human Metabolome Database):HMDB41361
FooDB:FDB021284
Export Tariff Code:2930.90.2900
ChemSpider:View
FAO:2-Ethyl(thiophenol)

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 138.2326965332
Specific gravity @ 20 °C
Pounds per Gallon 8.622 to 8.656
Refractive Index 1.568 to 1.572 @ 20 °C
Boiling Point 203 to 205°C @ 760 mm Hg
Vapor Pressure 0.275 mmHg @ 25 °C
Flash Point TCC Value 80.56 °C TCC
logP (o/w) 3.511 est
Solubility
alcohol Yes
water, 56.24 mg/L @ 25 °C (est) Yes
water No
Stability
stable in most media Unspecified

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, roasted, meaty, smoky
General comment At 0.10 % in propylene glycol. sulfurous roasted meaty smoky
Flavor Type: Phenolic
phenolic, smoky, meaty
General comment Phenolic smoky meaty

Potential Uses

Applications
Flavoring purposes Nut

Safety Information

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 - Wear suitable protective clothing.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for 2-ethyl benzene thiol usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.00012 (μg/capita/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: 6
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -0.30000
beverages(nonalcoholic): -0.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.20000
fruit ices: -0.20000
gelatins / puddings: -0.20000
granulated sugar: --
gravies: -0.20000
hard candy: -0.30000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.20000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):4500-58-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3734338
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-ethylbenzenethiol
Chemidplus:0004500587