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pyrazinyl ethane thiol
General Material Information
| Preferred name | pyrazinyl ethane thiol |
| Trivial Name | Pyrazineethanethiol |
| Short Description | 2-pyrazinylethanethiol |
| Formula | C6 H8 N2 S |
| CAS Number | 35250-53-4 |
| FEMA Number | 3230 |
| Flavis Number | 14.031 |
| FDA UNII | F7I6G0E56F |
| Nikkaji Number | J34.797C |
| Beilstein Number | 0774932 |
| MDL | MFCD00053160 |
| COE Number | 2285 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 795 2-pyrazinylethanethiol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 35250-53-4 ; PYRAZINE ETHANETHIOL |
| 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-pyrazin-2-ylethanethiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 35250-53-4 |
| Pubchem (cid): | 61945 |
| Pubchem (sid): | 135018771 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Certain 2,5-dimethyl-3-thiopyrazines | |
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): | HMDB37169 |
| FooDB: | FDB016165 |
| Export Tariff Code: | 2930.90.9999 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 140.20875549316 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.586 to 9.669 |
| Refractive Index | 1.56 to 1.57 @ 20 °C |
| Boiling Point | 105 to 110°C @ 20 mm Hg |
| Boiling Point | 278 to 280°C @ 760 mm Hg |
| Vapor Pressure | 0.057 mmHg @ 25 °C |
| Vapor Density | 4.8 |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 0.769 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 1.363e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, meaty, cabbage, savory, roasted, burnt, beefy, chicken | |
| General comment | At 0.10 % in propylene glycol. sulfurous meaty cabbage |
| Mosciano, Gerard P&F 21, No. 6, 49, (1996) | Sulfureous, meaty, savory, roasted and burnt with beef and chicken notes |
| Flavor Type: Meaty | |
| meaty, sulfurous, savory, chicken, pork | |
| Mosciano, Gerard P&F 21, No. 6, 49, (1996) | At 2.00 ppm. Meaty, sulfureous, pot roast and savory with nuances suitable for chicken and pork |
| Used in meat, soup and savoury flavours. May also find use in chocolate and nut flavours. Also important as lamb and pork notes. Normal use levels in finished consumer product: 0.01-10 ppm. Council of Europe limits: Foods (10 ppm); Beverages (10 ppm). | Roast meat-like |
Occurrences
| (data available) |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| T - Toxic. | |
| R 25 - Toxic if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. 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 36/37/39 - Wear suitable clothing, 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: | |
| gavage-rat LD50 158 mg/kg (Posternak et al., 1975) oral-rat LD50 158 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 487, 1975. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for pyrazinyl ethane thiol usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.13 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 10.00000 | |
| fruit ices: | - | 10.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| 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: | - | - | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 17 (FGE.17): Pyrazine derivatives from chemical group 24 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 50 (FGE.50): Consideration of pyrazine derivatives evaluated by JECFA (57th meeting) structurally related to pyrazine derivatives evaluated by EFSA in FGE.17 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 17, Revision 1 (FGE.17Rev1): Pyrazine derivatives from chemical group 24 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) [1] View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 17, Revision 2 (FGE.17Rev2): Pyrazine derivatives from chemical group 24 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 50, Revision 1 (FGE.50Rev1): Consideration of pyrazine derivatives evaluated by JECFA (57th meeting) structurally related to pyrazine derivatives evaluated by EFSA in FGE.17Rev2 (2010) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):35250-53-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61945 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2810 |
| WGK Germany:3 |
| 2-pyrazin-2-ylethanethiol |
| Chemidplus:0035250534 |
| RTECS:KJ2551000 for cas# 35250-53-4 |