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cis and trans-2,5-dimethyltetrahydrofuran-3-thioacetate
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 252736-39-3 |  3D/inchi
|
| FDA UNII: | F8WC5K08SK | |
| Molecular Weight: | 174.26298000 | |
| Formula: | C8 H14 O2 S | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol | |
| EFSA/JECFA Comments: | According to JECFA: Min. assay value is "90 (mixture of 4 stereoisomers)" and secondary components "2,5-Dimethyltetrahydrofuran-3-thiol, Dimethyltetrahydro-3-furyl dithioacetate". Composition of mixture to be specified. Mixture of stereoisomers: 35-45% 2S,3R,5R: 25-30% 2R,3S,5S: 10-15% 2R,3R,5S: 5-10% 2S,3S,5R; others <5% (EFFA, 2015). According to JECFA: Min. Assay value is ‘90 (mixture of 4 stereoisomers)’ and secondary components ‘2,5-dimethyltetrahydrofuran-3-thiol & dimethyltetrahydro-3-furyl dithioacetate’. | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| JECFA Food Flavoring: | 1092 2,5-dimethyl-3-thioacetoxy-tetrahydrofuran, cis and trans isomers |
| DG SANTE Food Flavourings: | 13.194 cis and trans-2,5-dimethyltetrahydrofuran-3-thioacetate |
| FEMA Number: | 3972 cis and trans-2,5-dimethyltetrahydrofuran-3-thioacetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 252736-39-3 ; S-(TETRAHYDRO-2,5-DIMETHYL-3-FURANYL) ETHANETHIOATE |
Physical Properties:
| Appearance: | pale yellow to yellow clear liquid (est) |
| Assay: | 90.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93300 to 1.00300 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.773 to 8.356 |
| Refractive Index: | 1.46800 to 1.47400 @ 20.00 °C. |
| Boiling Point: | 241.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 50.00 °C. @ 1.00 mm Hg |
| Soluble in: | |
| water, 6888 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| Odor Strength: | high , recommend smelling in a 0.10 % solution or less |
| sulfurous meaty roasted meaty meaty onion | |
| Odor Description: at 0.10 % in propylene glycol. | sulfury roasted meat onion |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Ethanethioic acid,S-(tetrahydro-2,5-dimethyl-3-furanyl) ester |
| Parchem |
| (Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| 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 (Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran 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): | 2.00 (μg/capita/day) | ||
| NOEL (No Observed Effect Level): | 8.30 (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 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 3.00000 | 6.00000 | |
| beverages(nonalcoholic): | 1.00000 | 2.00000 | |
| beverages(alcoholic): | 1.00000 | 2.00000 | |
| breakfast cereal: | 3.00000 | 6.00000 | |
| cheese: | - | - | |
| chewing gum: | 4.00000 | 8.00000 | |
| condiments / relishes: | 1.00000 | 2.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 2.00000 | 4.00000 | |
| fruit ices: | 2.00000 | 4.00000 | |
| gelatins / puddings: | 2.00000 | 4.00000 | |
| granulated sugar: | - | - | |
| gravies: | 2.00000 | 4.00000 | |
| hard candy: | 2.00000 | 5.00000 | |
| imitation dairy: | 2.00000 | 4.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 1.00000 | 2.00000 | |
| milk products: | 1.00000 | 2.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | 1.00000 | 2.00000 | |
| soft candy: | 2.00000 | 4.00000 | |
| soups: | 2.00000 | 4.00000 | |
| 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): | |
| 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 | |
| Statement on List of Representative Substances for Testing.
The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). 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 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| National Institute of Allergy and Infectious Diseases: | Data |
| S-(2,5-dimethyltetrahydro-3-furanyl) ethanethioate | |
| Chemidplus: | 0252736393 |
References:
| S-(2,5-dimethyltetrahydro-3-furanyl) ethanethioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cas): | 252736-39-3 |
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): | Search |
| FooDB: | FDB010328 |
| 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 |
Potential Blenders and core components note
Potential Uses:
| meat | FL | |
| onion | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (Z+E)- | dimethyl tetrahydro-3-furyl dithioacetate |
| (Z+E)-2,5- | dimethyl tetrahydrofuran-3-thioacetate |
| (Z+E)-S-(2,5- | dimethyl) tetrahydrofuran-3-yl thioacetate |
| (Z+E)-2,5- | dimethyl-3-tetrahydrofuryl ethane thioate |
| (Z+E)-2,5- | dimethyl-3-tetrahydrofurylethanethioate |
| 2,5- | dimethyl-3-thioacetoxy-tetrahydrofuran, cis and trans isomers |
| S-(2,5- | dimethyltetrahydro-3-furanyl) ethanethioate |
| cis and trans-2,5- | dimethyltetrahydrofuran-3-thioacetate |
| (Z+E)- | ethane thioic acid S-(2-methyl-3-furanyl) ester |
| S-( | tetrahydro-2,5-dimethyl-3-furanyl) ethane thioate |
| S-( | tetrahydro-2,5-dimethyl-3-furanyl) ethane thioic acid ester |
| S-( | tetrahydro-2,5-dimethyl-3-furanyl)ethanethioate |