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coffee difuran
General Material Information
| Preferred name | coffee difuran |
| Trivial Name | Difurfuryl disulfide |
| Short Description | 2,2'-(dithiodimethylene)difuran |
| Formula | C10 H10 O2 S2 |
| CAS Number | 4437-20-1 |
| FEMA Number | 3146 |
| Flavis Number | 13.05 |
| ECHA Number | 224-649-6 |
| FDA UNII | 5IP6729ULF |
| Nikkaji Number | J68.898C |
| MDL | MFCD00010082 |
| COE Number | 11480 |
| xLogP3-AA | 2.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1081 2,2'-(dithiodimethylene)difuran |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 4437-20-1 ; 2,2'-(DITHIODIMETHYLENE) DIFURAN |
| 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-(furan-2-ylmethyldisulfanylmethyl)furan | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4437-20-1 |
| Pubchem (cid): | 20499 |
| Pubchem (sid): | 134985242 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Publications by PubMed | |
| Degradation of the coffee flavor compound furfuryl mercaptan in model Fenton-type reaction systems. | |
| Screening of organosulfur compounds as inhibitors of human CYP2A6. | |
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): | HMDB29988 |
| FooDB: | FDB001276 |
| Export Tariff Code: | 2932.19.5100 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | 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 | 226.31809997559 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 10.227 to 10.385 |
| Refractive Index | 1.585 to 1.598 @ 20 °C |
| Melting Point | 10 to 11°C @ 760 mm Hg |
| Boiling Point | 229 to 230°C @ 760 mm Hg |
| Boiling Point | 112 to 115°C @ 0.5 mm Hg |
| Vapor Pressure | 0.00046 mmHg @ 25 °C |
| Vapor Density | 7.7 |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 4.03 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Refrigerate in tightly sealed containers. |
| Solubility | |
| alcohol | Yes |
| water, 11.56 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| stable at room temp in most media | Unspecified |
Organoleptic Properties
| Odor Type: Coffee | |
| sulfurous, coffee roasted coffee, roasted, chicken, meaty roasted meaty, onion, cabbage, coffee, meaty, potato | |
| General comment | At 0.01 % in propylene glycol. sulfury coffee roasted chicken meaty onion cabbage |
| Mosciano, Gerard P&F 23, No. 5, 49, (1998) | At 0.01 %. Sulfurous, coffee, furfuryl mercaptan, roasted, meaty, onion and cabbage, potato |
| Flavor Type: Coffee | |
| sulfurous, coffee, roasted, meaty roasted meaty, onion | |
| Mosciano, Gerard P&F 23, No. 5, 49, (1998) | At 0.10 ppm. Sulfurous, coffee, roasted meaty, onion |
| Used in meat, soup, onion savory flavors; good in coffee and maple flavors. Normal use levels in finished consumer product: 0.01-1 ppm. | Coffee, roasted, warm, malty notes at 2.5 ppm in water |
| General comment | Coffee, roasted, warm, malty notes at 2.5 ppm in water |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Maple |
| Flavoring purposes | Caramel , Chocolate cocoa , Coffee , Garlic , Meat , Nut , Onion , Potato , Roasted , Savory , Soup , Vegetable |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. 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: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for coffee difuran usage levels up to: | |||
| 0.1000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.30 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.70 (μg/capita/day) | ||
| NOEL (No Observed Effect Level): | 3.00 (mg/kg bw per day) | ||
| Structure Class: | II | ||
| 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: | - | 1.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 1.00000 | |
| condiments / relishes: | - | 1.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | 1.00000 | |
| hard candy: | - | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 1.00000 | |
| milk products: | - | 1.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 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 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 |
| 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 |
| Safety and efficacy of furfuryl and furan derivatives belonging to chemical group 14 when used as flavourings for all animal species and categories 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 Substance Registry Services (TSCA):4437-20-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :20499 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-(furan-2-ylmethyldisulfanylmethyl)furan |
| Chemidplus:0004437201 |