4-methyl thiobutyraldehyde
4-(methylthio)butanal
Identification
| Name | 4-methyl thiobutyraldehyde |
| IUPAC | 4-methylsulfanylbutanal |
| CAS Number | 42919-64-2 |
| EINECS | 256-001-3 |
| FDA UNII | 665I2LWS8I |
| Molecular Formula | C5 H12 O S |
| Molecular Weight | 120.21484000 |
| Nikkaji Number | J310.004I |
| CoE Number | 11542 |
Regulatory
| JECFA Food Flavoring | 468 4-(methylthio)butanal |
| DG SANTE Food Flavourings | 12.061 4-(methylthio)butanal |
| FEMA Number | 3414 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 42919-64-2 ; 4-(METHYLTHIO)BUTANAL |
Physical Properties
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.03400 to 1.04200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.604 to 8.670 |
| Refractive Index | 1.50700 to 1.51300 @ 20.00 °C. |
| Boiling Point | 112.00 to 115.00 °C. @ 20.00 mm Hg |
| Vapor Pressure | 0.446000 mmHg @ 25.00 °C. (est) |
| Flash Point | 215.00 °F. TCC ( 101.67 °C. ) |
| logP (o/w) | 0.829 (est) |
| Soluble in | water, 1.726e+004 mg/L @ 25 °C (est) |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
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 thiobutyraldehyde usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (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
butanal, 4-(methylthio)-
gamma-(
methyl mercapto) butyraldehyde
gamma-
methyl mercaptobutyraldehyde
4-(
methyl thio) butanal
4-(
methyl thio) butyraldehyde
gamma-(
methyl thio) butyraldehyde
4-(
methylsulfanyl)butanal
4-
methylsulfanylbutanal
4-(
methylthio)butanal
4-(
methylthio)butyraldehyde
4-
methylthiobutanal
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