2-methyl-1,3-dithiolane
1,3-dithiolane, 2-methyl-
Identification
| Name | 2-methyl-1,3-dithiolane |
| IUPAC | 2-methyl-1,3-dithiolane |
| CAS Number | 5616-51-3 |
| EINECS | 227-038-2 |
| FDA UNII | 4O81R0SPR0 |
| Molecular Formula | C4 H8 S2 |
| Molecular Weight | 120.23776000 |
| MDL Number | MFCD01729666 |
| Nikkaji Number | J91.174G |
Regulatory
| JECFA Food Flavoring | 534 2-methyl-1,3-dithiolane |
| DG SANTE Food Flavourings | 15.034 2-methyl-1,3-dithiolane |
| FEMA Number | 3705 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 5616-51-3 ; 2-METHYL-1,3-DITHIOLANE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.14700 to 1.15700 @ 20.00 °C. |
| Pounds per Gallon - (est). | 9.555 to 9.639 |
| Refractive Index | 1.55900 to 1.56900 @ 20.00 °C. |
| Boiling Point | 65.00 °C. @ 10.00 mm Hg |
| Vapor Pressure | 1.578000 mmHg @ 25.00 °C. (est) |
| Flash Point | 111.00 °F. TCC ( 43.89 °C. ) |
| logP (o/w) | 1.090 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. burnt alliaceous
|
| Taste Description |
cooked roasted onion alliaceous
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rabbit LD50 [sex: M,F] 1610 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 | flavoring agents |
| Recommendation for 2-methyl-1,3-dithiolane usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.061 (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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