4-((2-methyl-3-furyl)thio)-5-nonanone
4-[(2-methyl-3-furyl)thio]-5-nonanone
Identification
| Name | 4-((2-methyl-3-furyl)thio)-5-nonanone |
| IUPAC | 4-(2-methylfuran-3-yl)sulfanylnonan-5-one |
| CAS Number | 61295-50-9 |
| EINECS | 262-691-7 |
| FDA UNII | DQZ4Y02VLM |
| Molecular Formula | C14 H22 O2 S |
| Molecular Weight | 254.39274000 |
| MDL Number | MFCD08741453 |
| Nikkaji Number | J268.430F |
| CoE Number | 11923 |
Regulatory
| JECFA Food Flavoring | 1087 4-[(2-methyl-3-furyl)thio]-5-nonanone |
| DG SANTE Food Flavourings | 13.078 4-((2-methyl-3-furyl)thio)nonan-5-one |
| FEMA Number | 3571 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 61295-50-9 ; 4-((2-METHYL-3-FURYL)THIO)-5-NONANONE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.00000 to 1.01200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.321 to 8.421 |
| Refractive Index | 1.48900 to 1.49600 @ 20.00 °C. |
| Boiling Point | 102.00 to 103.00 °C. @ 0.25 mm Hg |
| Vapor Pressure | 0.000213 mmHg @ 25.00 °C. (est) |
| Flash Point | 304.00 °F. TCC ( 151.11 °C. ) |
| logP (o/w) | 4.551 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| 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 | flavoring agents |
| Recommendation for 4-((2-methyl-3-furyl)thio)-5-nonanone usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.73 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.70 (μg/capita/day) |
| NOEL (No Observed Effect Level) | 3.80 (mg/kg bw per day) |
| Structure Class | III |
| 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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