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2-ethyl benzene thiol
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 |
|
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-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) |
Suppliers
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 ppm | average 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 |