S-methyl 4-methyl pentane thioate
S-methyl 4-methylpentanethioate
Identification
| Name | S-methyl 4-methyl pentane thioate |
| IUPAC | S-methyl 4-methylpentanethioate |
| CAS Number | 61122-71-2 |
| FDA UNII | 011EVD3QYF |
| Molecular Formula | C7 H14 O S |
| Molecular Weight | 146.25278000 |
| MDL Number | MFCD08741455 |
| Nikkaji Number | J596.613B |
| CoE Number | 12148 |
Regulatory
| JECFA Food Flavoring | 488 S-methyl 4-methylpentanethioate |
| DG SANTE Food Flavourings | 12.148 S-methyl 4-methylpentanethioate |
| FEMA Number | 3867 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 61122-71-2 ; S-METHYL 4-METHYLPENTANETHIOATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.83200 to 0.83700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.923 to 6.965 |
| Refractive Index | 1.47200 to 1.47800 @ 20.00 °C. |
| Boiling Point | 110.00 to 112.00 °C. @ 20.00 mm Hg, 177.00 to 179.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.879000 mmHg @ 25.00 °C. (est) |
| Flash Point | 133.00 °F. TCC ( 56.11 °C. ) |
| logP (o/w) | 2.741 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
| Taste Description | tropical |
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 S-methyl 4-methyl pentane thioate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | 0.10000 |
| beverages(nonalcoholic) | 0.10000 |
| beverages(alcoholic) | - |
| breakfast cereal | 0.10000 |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 0.10000 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.10000 |
| milk products | 0.10000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 100.00000 |
| snack foods | - |
| soft candy | 0.10000 |
| soups | 0.10000 |
| sugar substitutes | - |
| sweet sauces | 0.10000 |
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Robinson Brothers Limited
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Potential Uses
Natural Occurrence
Synonyms
S-
methyl 4-methyl pentanethioate
S-
methyl 4-methylpentanethioate
4-
methyl pentane thioic acid S-methyl ester
4-
methyl pentanethioic acid S-methyl ester
S-
methyl-4-methyl pentanethioate
pentanethioic acid, 4-methyl-, S-methyl ester
pentanethioic acid, 4-methyl, S-methyl ester
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