1-(methyl thio)-2-butanone
1-(methylthio)-2-butanone
Identification
| Name | 1-(methyl thio)-2-butanone |
| IUPAC | 1-methylsulfanylbutan-2-one |
| CAS Number | 13678-58-5 |
| EINECS | 237-169-7 |
| FDA UNII | KPY19W300G |
| Molecular Formula | C5 H10 O S |
| Molecular Weight | 118.19890000 |
| Nikkaji Number | J277.983H |
| CoE Number | 11543 |
Regulatory
| JECFA Food Flavoring | 496 1-(methylthio)-2-butanone |
| DG SANTE Food Flavourings | 12.041 1-(methylthio)butan-2-one |
| FEMA Number | 3207 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 13678-58-5 ; 1-(METHYLTHIO)-2-BUTANONE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 52.00 to 53.00 °C. @ 8.00 mm Hg |
| Vapor Pressure | 2.316000 mmHg @ 25.00 °C. (est) |
| Flash Point | 122.00 °F. TCC ( 50.00 °C. ) |
| logP (o/w) | 0.959 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. at 0.10 %.
|
| Taste Description |
green, sweet, fatty, earthy mushroom at 1.00 ppm.
|
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 1-(methyl thio)-2-butanone usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.0037 (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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Potential Uses
Natural Occurrence
Synonyms
2-
butanone, 1-(methylthio)-
1-
methyl thio-2-butanone
1-(
methyl thio) butan-2-one
1-
methyl thiobutan-2-one
1-(
methylsulfanyl)butan-2-one
1-
methylsulfanylbutan-2-one
1-
methylthio-2-butanone
1-(
methylthio)-2-butanone
1-(
methylthio)butan-2-one
2-
thia-4-hexanone
US Patents:
3,952,024 - Furfurylthioacetone
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Certain 2,5-dimethyl-3-thiopyrazines