6-methyl thiohexyl isothiocyanate
6-(methylthio)hexyl isothiocyante
Identification
| Name | 6-methyl thiohexyl isothiocyanate |
| IUPAC | 1-isothiocyanato-6-methylsulfanylhexane |
| CAS Number | 4430-39-1 |
| FDA UNII | 63844HOL2H |
| Molecular Formula | C8 H15 N S2 |
| Molecular Weight | 189.34455000 |
| Nikkaji Number | J385.656I |
Regulatory
| JECFA Food Flavoring | 1897 6-(methylthio)hexyl isothiocyante |
| FEMA Number | 4415 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 4430-39-1 ; 6-(METHYLTHIO)HEXYL ISOTHIOCYANATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.03500 to 1.04100 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.622 to 8.672 |
| Refractive Index | 1.53400 to 1.54000 @ 20.00 °C. |
| Boiling Point | 284.00 to 285.00 °C. @ 760.00 mm Hg, 128.00 to 129.00 °C. @ 1.00 mm Hg |
| Vapor Pressure | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point | 258.00 °F. TCC ( 125.56 °C. ) |
| logP (o/w) | 3.442 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | skin conditioning |
Organoleptic Properties
| Odor Description | radish |
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 6-methyl thiohexyl 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 | 5.00000 |
| 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 | 0.50000 |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 0.80000 |
| snack foods | 0.50000 |
| soft candy | 2.00000 |
| soups | 0.80000 |
| sugar substitutes | - |
| sweet sauces | - |
Chemical sources Association Inc
Exchange of knowledge
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Potential Uses
Natural Occurrence
Synonyms
hexane, 1-isothiocyanato-6-(methylthio)-
6-(
methyl thio) hexyl isothiocyante
6-(
methylthio)hexyl isothiocyante
1-iso
thiocyanato-6-(methyl thio) hexane
1-iso
thiocyanato-6-(methylsulfanyl)hexane
1-iso
thiocyanato-6-(methylthio)hexane
1-iso
thiocyanato-6-methylsulfanyl-hexane
1-iso
thiocyanato-6-methylsulfanylhexane
6-iso
thiocyanatohexyl methyl sulfide
(6-iso
thiocyanatohexyl)(methyl)sulfane
methylthiohexyl isothiocyanate
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