methyl 3-methyl-1-butenyl disulfide
(1E)-3-methyl-1-(methyldisulfanyl)but-1-ene
Identification
| Name | methyl 3-methyl-1-butenyl disulfide |
| IUPAC | (1E)-3-methyl-1-(methyldisulfanyl)but-1-ene |
| CAS Number | 233666-09-6 |
| FDA UNII | U10N85EV9D |
| Molecular Formula | C6 H12 S2 |
| Molecular Weight | 148.29164000 |
| CoE Number | 12218 |
Regulatory
| JECFA Food Flavoring | 571 methyl 3-methyl-1-butenyl disulfide |
| DG SANTE Food Flavourings | 12.218 methyl 3-methyl-1-butenyl disulfide |
| FEMA Number | 3865 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 233666-09-6 ; METHYL 3-METHYL-1-BUTENYL DISULFIDE |
Physical Properties
| Appearance | pale yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.83000 to 0.83500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.906 to 6.948 |
| Refractive Index | 1.38000 to 1.39000 @ 20.00 °C. |
| Boiling Point | 86.00 to 87.00 °C. @ 21.00 mm Hg, 178.00 to 179.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.283000 mmHg @ 25.00 °C. (est) |
| Flash Point | 132.00 °F. TCC ( 55.56 °C. ) |
| logP (o/w) | 3.026 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
No sensory data available
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 methyl 3-methyl-1-butenyl disulfide usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | 0.06000 |
| beverages(nonalcoholic) | 0.20000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | 0.01000 |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | 0.10000 |
| granulated sugar | - |
| gravies | 0.10000 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.40000 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 5.00000 |
| snack foods | - |
| soft candy | - |
| soups | 0.02000 |
| sugar substitutes | - |
| sweet sauces | - |
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Exchange of knowledge
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Potential Uses
Natural Occurrence
Synonyms
disulfide, methyl 3-methyl-1-buten-1-yl
methyl 3-methylbut-1-en-1-yl disulfide
methyl methyl buten-1-yl disulfide
methyl methyl butenyl disulfide
methyl methylbutenyl disulfide
(1E)-3-
methyl-1-(methyldisulfanyl)but-1-ene
3-
methyl-1-(methyldisulfanyl)but-1-ene
3-
methyl-1-methyldisulfanyl but-1-ene
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