5-methyl thiopentyl isothiocyanate
5-(methylthio)pentyl isothiocyante
Identification
| Name | 5-methyl thiopentyl isothiocyanate |
| IUPAC | 1-isothiocyanato-5-methylsulfanylpentane |
| CAS Number | 4430-42-6 |
| FDA UNII | 0L0K74BW6T |
| Molecular Formula | C7 H13 N S2 |
| Molecular Weight | 175.31761000 |
| MDL Number | MFCD00210791 |
| Nikkaji Number | J634.913G |
Regulatory
| JECFA Food Flavoring | 1896 5-(methylthio)pentyl isothiocyante |
| FEMA Number | 4416 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4430-42-6 ; 5-(METHYLTHIO)PENTYL ISOTHIOCYANATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.05500 to 1.06100 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.789 to 8.839 |
| Refractive Index | 1.54200 to 1.54800 @ 20.00 °C. |
| Boiling Point | 267.00 to 268.00 °C. @ 760.00 mm Hg, 131.00 to 133.00 °C. @ 4.00 mm Hg |
| Vapor Pressure | 0.013000 mmHg @ 25.00 °C. (est) |
| Flash Point | 240.00 °F. TCC ( 115.56 °C. ) |
| logP (o/w) | 2.932 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | refrigerate in tightly sealed containers. |
| 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 5-methyl thiopentyl 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 | 2.00000 |
| 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 | 1.00000 |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 1.00000 |
| snack foods | 1.00000 |
| soft candy | 2.00000 |
| soups | 1.00000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
berteroin
5-(
methyl thio) pentyl isothiocyante
5-(
methylthio)pentyl isothiocyante
5-
methylthiopentyl isothiocyanate
pentane, 1-isothiocyanato-5-(methylthio)-
pentane,1-isothiocyanato-5-(methylthio)-
1-iso
thiocyanato-5-(methyl thio) pentane
1-iso
thiocyanato-5-(methylsulfanyl)pentane
1-iso
thiocyanato-5-(methylthio)pentane
1-iso
thiocyanato-5-methylsulfanylpentane
5-iso
thiocyanatopentyl methyl sulfide
iso
thiocyanic acid 5-(methylthio)pentyl ester
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