methyl 4-(methyl thio) butyrate
methyl 4-(methylthio)butyrate
Identification
| Name | methyl 4-(methyl thio) butyrate |
| IUPAC | methyl 4-methylsulfanylbutanoate |
| CAS Number | 53053-51-3 |
| EINECS | 258-328-7 |
| FDA UNII | 36I1Z35638 |
| Molecular Formula | C6 H12 O2 S |
| Molecular Weight | 148.22504000 |
| MDL Number | MFCD00009849 |
| Nikkaji Number | J295.868F |
| CoE Number | 11526 |
| XlogP3 | 1.40 (est) |
Regulatory
| JECFA Food Flavoring | 474 methyl 4-(methylthio)butyrate |
| DG SANTE Food Flavourings | 12.060 methyl 4-(methylthio)butyrate |
| FEMA Number | 3412 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 53053-51-3 ; METHYL 4-(METHYLTHIO)BUTYRATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 110.00 °C. @ 20.00 mm Hg, 52.00 °C. @ 3.00 mm Hg |
| Vapor Pressure | 0.311000 mmHg @ 25.00 °C. (est) |
| Vapor Density | >1 ( Air = 1 ) |
| Flash Point | 185.00 °F. TCC ( 85.00 °C. ) |
| logP (o/w) | 1.225 (est) |
| Soluble in | alcohol |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 196 hour(s) at 100.00 % |
| Odor Description |
at 0.10 % in propylene glycol. An oniony, garlic, sweet pineapple, cheesy odor
|
| Odor sample from | Sigma-Aldrich |
| Taste Description |
sulfurous garlic green onion chive green cheesy garlic
|
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 4-(methyl thio) butyrate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.061 (μg/capita/day) |
| Structure Class | I |
| 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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