2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2,6-dimethyl-3-[(2-methyl-3-furyl)thio]-4-heptanone
Identification
| Name | 2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone |
| IUPAC | 2,6-dimethyl-3-(2-methylfuran-3-yl)sulfanylheptan-4-one |
| CAS Number | 61295-51-0 |
| EINECS | 262-692-2 |
| FDA UNII | 72879F3Z2G |
| Molecular Formula | C14 H22 O2 S |
| Molecular Weight | 254.39274000 |
| Nikkaji Number | J268.431D |
| CoE Number | 11915 |
Regulatory
| JECFA Food Flavoring | 1086 2,6-dimethyl-3-[(2-methyl-3-furyl)thio]-4-heptanone |
| DG SANTE Food Flavourings | 13.075 2,6-dimethyl-3-((2-methyl-3-furyl)thio)heptan-4-one |
| FEMA Number | 3538 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 61295-51-0 ; 2,6-DIMETHYL-3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 94.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.00600 to 1.02200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.371 to 8.504 |
| Refractive Index | 1.48800 to 1.49400 @ 20.00 °C. |
| Boiling Point | 90.00 to 92.00 °C. @ 0.20 mm Hg |
| Vapor Pressure | 0.000400 mmHg @ 25.00 °C. (est) |
| Flash Point | 293.00 °F. TCC ( 145.00 °C. ) |
| logP (o/w) | 4.240 (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 2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 1.80 (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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Potential Uses
Natural Occurrence
Synonyms
1,3-
diisopropyl acetonyl 2-methyl-3-furyl sulfide
1,3-
diisopropylacetonyl 2-methyl-3-furyl sulfide
2,6-
dimethyl-3-((2-methyl-3-furyl)sulfanyl)heptan-4-one
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)heptan-4-one
2,6-
dimethyl-3-(2-methylfuran-3-yl)sulfanylheptan-4-one
2,6-
dimethyl-3-[(2-methyl-3-furyl)sulfanyl]heptan-4-one
2,6-
dimethyl-3-[(2-methyl-3-furyl)thio]-4-heptanone
2,6-
dimethyl-3-[(2-methyl-3-furyl)thio]heptan-4-one
4-
heptanone, 2,6-dimethyl-3-[(2-methyl-3-furanyl)thio]-
3-2-
methyl-3-furyl thio-2,6-dimethyl-1,4-heptanone
3-((2-
methyl-3-furyl)thio)-2,6-dimethyl-4-heptanone
3-[(2-
methyl-3-furyl)thiol]-2,6-dimethyl-4-heptanone
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