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cis and trans-2,5-dimethyltetrahydrofuran-3-thiol
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: | 26486-21-5 |  3D/inchi
|
| FDA UNII: | 5862WM787P | |
| MDL: | MFCD23701759 | |
| XlogP3-AA: | 1.40 (est) | |
| Molecular Weight: | 132.22584000 | |
| Formula: | C6 H12 O S | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | According to JECFA: Min. assay value is "96 (mixture of 4 stereoisomers)". Composition of mixture to be specified. Mixture of stereoisomers: 40-50% 2S,3R,5R: 25-30% 2R,3S,5S: 15-20% 2R,3R,5S: 5-10% 2S,3S,5R: others <5% (EFFA, 2015). According to JECFA: Min. Assay value is ‘96 (mixture of 4 stereoisomers)’. Composition of stereoisomeric mixture to be specified. | |
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 |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1091 2,5-dimethyl-3-tetrahydrofuranthiol, cis and trans isomers |
| DG SANTE Food Flavourings: | 13.193 2,5-dimethyltetrahydro-3-furanthiol |
| FEMA Number: | 3971 cis and trans-2,5-dimethyltetrahydrofuran-3-thiol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 26486-21-5 ; 2,5-DIMETHYL-3-MERCAPTOTETRAHYDROFURAN |
Physical Properties:
| Appearance: | pale yellow to amber yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.04000 to 1.04800 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.664 to 8.731 |
| Refractive Index: | 1.47700 to 1.48400 @ 20.00 °C. |
| Boiling Point: | 175.00 °C. @ 25.00 mm Hg |
| Boiling Point: | 173.00 to 174.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 1.720000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 137.00 °F. TCC ( 58.33 °C. ) (est) |
| logP (o/w): | 1.110 (est) |
| Soluble in: | |
| alcohol | |
| water, 3567 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| sulfurous roasted 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. |
| 3-Furanthiol,tetrahydro-2,5-dimethyl- |
| Matrix Scientific |
| For experimental / research use only. |
| 2,5-Dimethyltetrahydrofuran-3-thiol, 95+% |
| Parchem |
| (Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol |
| 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-tetrahydrofuran thiol 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): | 0.90 (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: | 0.40000 | 0.80000 | |
| beverages(nonalcoholic): | 0.20000 | 0.40000 | |
| beverages(alcoholic): | 0.20000 | 0.40000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 1.00000 | 2.00000 | |
| condiments / relishes: | 0.20000 | 0.40000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.60000 | 0.60000 | |
| fruit ices: | 0.20000 | 0.40000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.10000 | 0.20000 | |
| hard candy: | 0.40000 | 0.80000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 0.20000 | 0.40000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | 0.20000 | 0.40000 | |
| soft candy: | 0.30000 | 0.60000 | |
| soups: | 0.20000 | 0.40000 | |
| 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 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 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 | |
| Scientific Opinion on Flavouring Group Evaluation 13 Revision 3 (FGE.13Rev3): furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 20442793 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2,5-dimethyltetrahydrofuran-3-thiol | |
| Chemidplus: | 0026486215 |
References:
| 2,5-dimethyltetrahydrofuran-3-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 20442793 |
| Pubchem (sid): | 135358251 |
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): | HMDB32237 |
| FooDB: | FDB009319 |
| 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 |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (Z+E)-2,5- | dimethyl tetrahydrofuran-3-thiol |
| (Z+E)-2,5- | dimethyl-3-mercaptotetrahydrofuran |
| (Z+E)-2,5- | dimethyl-3-tetrahydrofuranthiol |
| 2,5- | dimethyl-3-tetrahydrofuranthiol, cis and trans isomers |
| 2,5- | dimethyltetrahydro-3-furanthiol |
| 2,5- | dimethyltetrahydrofuran-3-thiol |
| cis and trans-2,5- | dimethyltetrahydrofuran-3-thiol |
| tetrahydro-2,5-dimethyl furan-3-thiol | |
| tetrahydro-2,5-dimethylfuran-3-thiol |