4-(methyl thio)-2-oxobutyric acid
4-(methylthio)-2-oxobutanoic acid
Identification
| Name | 4-(methyl thio)-2-oxobutyric acid |
| IUPAC | 4-methylsulfanyl-2-oxobutanoic acid |
| CAS Number | 583-92-6 |
| FDA UNII | 286060413U |
| Molecular Formula | C5 H8 O3 S |
| Molecular Weight | 148.18136000 |
| Nikkaji Number | J39.561G |
| Beilstein | 1754666 |
Regulatory
| JECFA Food Flavoring | 501 4-(methyl thio)-2-oxobutanoic acid |
| DG SANTE Food Flavourings | 12.176 4-(methylthio)-2-oxobutyric acid |
| FEMA Number | 3881 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 583-92-6 ; 4-(METHYLTHIO)-2-OXOBUTANOIC ACID |
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 252.00 to 256.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point | 229.00 °F. TCC ( 109.44 °C. ) |
| logP (o/w) | -0.641 (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 4-(methyl thio)-2-oxobutyric acid usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | III |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | 0.50000 |
| chewing gum | - |
| condiments / relishes | 0.10000 |
| confectionery froastings | 0.10000 |
| egg products | - |
| fats / oils | 0.30000 |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | 0.50000 |
| jams / jellies | - |
| meat products | 0.50000 |
| milk products | 0.50000 |
| nut products | - |
| other grains | - |
| poultry | 0.30000 |
| processed fruits | - |
| processed vegetables | 0.10000 |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | 1.00000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
butanoic acid, 4-(methylthio)-2-oxo-
butanoic acid, 4-methylthio-2-oxo-
butyric acid, 4-(methylthio)-2-oxo-
alpha-keto-gamma-
methiol butyrate
gamma-
methiol-keto-butyric acid
alpha-keto
methionine
alpha-oxo
methionine
4-
methyl thio-2-ketobutyric acid
4-
methyl thio-2-oxobutanoate
4-
methyl thio-2-oxobutanoic acid
2-keto-4-(
methyl thio) butyric acid
4-(
methyl thio)-2-oxobutanoic acid
2-keto-4-
methyl thiobutanoic acid
2-keto-4-
methyl thiobutyric acid
alpha-oxo-gamma-
methyl thiobutyric acid
S-
methyl-alpha-ketobutyric acid
4-
methylsulfanyl-2-oxobutanoic acid
4-(
methylsulfanyl)-2-oxobutanoic acid
4-
methylthio-2-ketobutyric acid
4-
methylthio-2-oxobutanoic acid
4-(
methylthio)-2-oxo-butanoic acid
4-(
methylthio)-2-oxobutanoic acid
4-(
methylthio)-2-oxobutyric acid
2-keto-4-(
methylthio)butyric acid
2-oxo-4-
methylthiobutanoate
2-keto-4-
methylthiobutanoic acid
2-oxo-4-
methylthiobutanoic acid
keto-4-
methylthiobutyrate
2-keto-4-
methylthiobutyric acid
2-keto-4-
thiomethyl butyrate
2-keto
thiomethyl butyric acid
2-oxo-4-
thiomethyl butyric acid
2-keto
thiomethylbutyric acid
2-oxo-4-
thiomethylbutyric acid
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