3-methyl-1,2,4-trithiane
1,2,4-trithiane, 3-methyl-
Identification
| Name | 3-methyl-1,2,4-trithiane |
| IUPAC | 3-methyl-1,2,4-trithiane |
| CAS Number | 43040-01-3 |
| EINECS | 256-056-3 |
| FDA UNII | G1961C379S |
| Molecular Formula | C4 H8 S3 |
| Molecular Weight | 152.30276000 |
| Nikkaji Number | J422.480I |
Regulatory
| JECFA Food Flavoring | 574 3-methyl-1,2,4-trithiane |
| DG SANTE Food Flavourings | 15.036 3-methyl-1,2,4-trithiane |
| FEMA Number | 3718 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 43040-01-3 ; 3-METHYL-1,2,4-TRITHIANE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.27600 @ 20.00 °C. |
| Refractive Index | 1.61700 to 1.62700 @ 20.00 °C. |
| Boiling Point | 226.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.053000 mmHg @ 25.00 °C. (est) |
| Flash Point | 226.00 °F. TCC ( 107.78 °C. ) |
| logP (o/w) | 3.386 (est) |
| Soluble in | fats |
| Insoluble in | water |
Organoleptic Properties
| Taste Description | meaty |
Safety Information
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M,F] 440 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 3-methyl-1,2,4-trithiane usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.073 (μg/capita/day) |
| NOEL (No Observed Effect Level) | 0.30 (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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Potential Uses
Natural Occurrence
Synonyms
3-
methyl-1,2,4-trithiacyclohexane
1,2,4-
trithiane, 3-methyl-
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