coffee furanone
2-methyltetrahydrofuran-3-one
Identification
| Name | coffee furanone |
| IUPAC | (2S)-2-methyloxolan-3-one |
| EINECS | 221-685-4 |
| FDA UNII | Search |
| Molecular Formula | C5 H8 O2 |
| Molecular Weight | 100.11716000 |
| MDL Number | MFCD00010423 |
| Nikkaji Number | J75.503F |
| Beilstein | 1341334 |
| CoE Number | 2338 |
Regulatory
| JECFA Food Flavoring | 1448 2-methyltetrahydrofuran-3-one |
| DG SANTE Food Flavourings | 13.042 4,5-dihydro-2-methylfuran-3(2H)-one |
| FEMA Number | 3373 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 3188-00-9 ; 2-METHYLTETRAHYDROFURAN-3-ONE |
Physical Properties
| Appearance | colorless to pale greenish yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.18000 to 1.18500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.819 to 9.860 |
| Refractive Index | 1.53400 to 1.53700 @ 20.00 °C. |
| Boiling Point | 138.00 to 139.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 6.556000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 3.4 ( Air = 1 ) |
| Flash Point | 103.00 °F. TCC ( 39.44 °C. ) |
| logP (o/w) | -0.563 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | stable in most media |
Organoleptic Properties
| Odor Description |
at 10.00 % in dipropylene glycol. Sweet and solvent-like with a brown, rummy and nut-like nuance sweet and solvent-like with a brown, rummy and nut-like nuance
|
| Odor sample from | Sigma-Aldrich |
| Taste Description |
at 75.00 ppm. nutty and astringent with a slight, creamy almond nuance
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-mouse LD50 [sex: M,F] 1860 mg/kg |
| 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 furanone usage levels up to | 0.3000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 20.50 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 9.00 (μg/capita/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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