coffee difuran
2,2'-(dithiodimethylene)difuran
Identification
| Name | coffee difuran |
| IUPAC | 2-(furan-2-ylmethyldisulfanylmethyl)furan |
| CAS Number | 4437-20-1 |
| EINECS | 224-649-6 |
| FDA UNII | 5IP6729ULF |
| Molecular Formula | C10 H10 O2 S2 |
| Molecular Weight | 226.31810000 |
| MDL Number | MFCD00010082 |
| Nikkaji Number | J68.898C |
| CoE Number | 11480 |
Regulatory
| JECFA Food Flavoring | 1081 2,2'-(dithiodimethylene)difuran |
| DG SANTE Food Flavourings | 13.050 difurfuryl disulfide |
| FEMA Number | 3146 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4437-20-1 ; 2,2'-(DITHIODIMETHYLENE) DIFURAN |
Physical Properties
| Appearance | pale yellow to amber clear oily liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.22900 to 1.24800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 10.227 to 10.385 |
| Refractive Index | 1.58500 to 1.59800 @ 20.00 °C. |
| Melting Point | 10.00 to 11.00 °C. @ 760.00 mm Hg |
| Boiling Point | 229.00 to 230.00 °C. @ 760.00 mm Hg, 112.00 to 115.00 °C. @ 0.50 mm Hg |
| Vapor Pressure | 0.000460 mmHg @ 25.00 °C. (est) |
| Vapor Density | 7.7 ( Air = 1 ) |
| Flash Point | 212.00 °F. TCC ( 100.00 °C. ) |
| logP (o/w) | 4.030 |
| Shelf Life | 24.00 month(s) or longer if stored properly. |
| Storage | refrigerate in tightly sealed containers. |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | stable at room temp in most media |
Organoleptic Properties
| Odor Description |
at 0.01 % in propylene glycol. at 0.01 %. sulfurous; roast coffee, roast meat sulfurous; roast coffee, roast meat
|
| Taste Description |
at 0.10 ppm. Coffee, roasted, warm, malty notes at 2.5 ppm in water Coffee, roasted, warm, malty notes at 2.5 ppm in water
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| 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 | - |
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