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S-(2-methyl-3-furyl) ethane thioate
General Material Information
| Preferred name | S-(2-methyl-3-furyl) ethane thioate |
| Trivial Name | 3-(Acetylthio)-2-methylfuran |
| Short Description | ethanethioic acid, S-(2-methyl-3-furanyl) ester |
| Formula | C7 H8 O2 S |
| CAS Number | 55764-25-5 |
| FEMA Number | 3973 |
| Flavis Number | 13.153 |
| ECHA Number | 259-801-0 |
| FDA UNII | 7277JEE7AF |
| Nikkaji Number | J296.492I |
| MDL | MFCD01632595 |
| xLogP3-AA | 1.70 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1069 ethanethioic acid, S-(2-methyl-3-furanyl) ester |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 55764-25-5 ; 3-(ACETYLTHIO)-2-METHYLFURAN |
| 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 |
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): | HMDB32160 |
| FooDB: | FDB008894 |
| Export Tariff Code: | 2932.19.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 156.20416259766 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.486 to 9.644 |
| Refractive Index | 1.444 to 1.451 @ 20 °C |
| Boiling Point | 222 to 224°C @ 760 mm Hg |
| Vapor Pressure | 0.211 mmHg @ 25 °C |
| Flash Point TCC Value | 60 °C TCC |
| logP (o/w) | 1.697 est |
| Solubility | |
| alcohol | Yes |
| water, 1122 mg/L @ 25 °C (est) | Yes |
| water | No |
| triacetin | No |
Organoleptic Properties
| Odor Type: Meaty | |
| meaty roasted meaty, roasted, meaty, sulfurous, eggy, burnt, cooked, fried | |
| General comment | At 0.10 % in propylene glycol. roasted meat sulfurous eggy burnt cooked fried |
| Flavor Type: Meaty | |
| meaty, beefy, chicken, bacon | |
| General comment | Meaty beefy chicken bacon |
| THIOACETYLSYLVA NE is key for bacon and beef tonalities. In lower dosages, it has great nutty and tropical fruit nuances which work nicely in nut and mango flavors. | Very powerful beef, chicken and bacon notes |
Occurrences
| (data available) |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. 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 20/21 - When using do not eat, drink or smoke. 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for S-(2-methyl-3-furyl) ethane thioate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.07 (μg/capita/day) | ||
| NOEL (No Observed Effect Level): | 5.00 (mg/kg bw per 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: 20. Update in publication number(s): 21 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 5.00000 | 10.00000 | |
| beverages(nonalcoholic): | 0.10000 | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 0.10000 | 0.50000 | |
| cheese: | 0.01000 | 0.10000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.00100 | 0.01000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | 0.50000 | 5.00000 | |
| fish products: | 0.50000 | 5.00000 | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.50000 | 5.00000 | |
| hard candy: | 0.50000 | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.50000 | 5.00000 | |
| milk products: | 0.10000 | 1.00000 | |
| nut products: | 0.50000 | 5.00000 | |
| other grains: | - | - | |
| poultry: | 0.05000 | 0.30000 | |
| processed fruits: | - | - | |
| processed vegetables: | 0.10000 | 1.00000 | |
| reconstituted vegetables: | 0.00300 | 0.03000 | |
| seasonings / flavors: | 1.00000 | 5.00000 | |
| snack foods: | 1.00000 | 5.00000 | |
| soft candy: | - | - | |
| soups: | 0.10000 | 1.00000 | |
| 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) related to Flavouring Group Evaluation 13 (FGE.13); Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 (Commission Regulation (EC) No 1565/2000 of 18 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
| Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 evaluated by EFSA in FGE.13Rev1 (2009) View page or View pdf |
| Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 65, Revision 1 (FGE.65Rev1): Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 evaluated by EFSA in FGE.13Rev2 (2011) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):55764-25-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :108765 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:3 |
| S-(2-methylfuran-3-yl) ethanethioate |
| Chemidplus:0055764255 |