4-methyl thiobutyl isothiocyanate
4-(methylthio)butyl thiocyante
Identification
| Name | 4-methyl thiobutyl isothiocyanate |
| IUPAC | 1-isothiocyanato-4-methylsulfanylbutane |
| CAS Number | 4430-36-8 |
| FDA UNII | CTE370DL3U |
| Molecular Formula | C6 H11 N S2 |
| Molecular Weight | 161.29067000 |
| MDL Number | MFCD01656048 |
| Nikkaji Number | J682.484F |
Regulatory
| JECFA Food Flavoring | 1892 4-(methylthio)butyl thiocyante |
| FEMA Number | 4414 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4430-36-8 ; 4-(METHYLTHIO)BUTYL ISOTHIOCYANATE |
Physical Properties
| Appearance | pale yellow to red brown clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.08000 to 1.08600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.997 to 9.047 |
| Refractive Index | 1.55100 to 1.55600 @ 20.00 °C. |
| Boiling Point | 250.00 to 251.00 °C. @ 760.00 mm Hg (est), 134.00 to 136.00 °C. @ 14.00 mm Hg |
| Vapor Pressure | 0.034000 mmHg @ 25.00 °C. (est) |
| Flash Point | 221.00 °F. TCC ( 105.00 °C. ) |
| logP (o/w) | 2.672 (est) |
| Storage | store under nitrogen., refrigerate in tightly sealed containers. store under nitrogen. |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 0.01 % 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 thiobutyl isothiocyanate usage levels up to | not for fragrance use. |
| baked goods | - |
| beverages(nonalcoholic) | 1.00000 |
| beverages(alcoholic) | 1.00000 |
| breakfast cereal | - |
| cheese | 0.50000 |
| chewing gum | 5.00000 |
| condiments / relishes | 2.00000 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 2.00000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | 0.50000 |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | 0.50000 |
| soft candy | 2.00000 |
| soups | 0.50000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
butane, 1-isothiocyanato-4-(methylthio)-
butane,1-isothiocyanato-4-(methylthio)-
erucin
4-(
methyl thio) butyl isothiocyante
4-(
methylthio)butyl isothiocyanate
4-(
methylthio)butyl thiocyante
4-
methylthiobutyl isothiocyanate
1-iso
thiocyanato-4-(methyl thio) butane
1-iso
thiocyanato-4-(methylsulfanyl)butane
1-iso
thiocyanato-4-(methylthio)butane
1-iso
thiocyanato-4-methylsulfanylbutane
4-iso
thiocyanatobutyl methyl sulfide
(4-iso
thiocyanatobutyl)(methyl)sulfane
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