5-hexenyl isothiocyanate
6-isothiocyanatohex-1-ene
Identification
| Name | 5-hexenyl isothiocyanate |
| IUPAC | 6-isothiocyanatohex-1-ene |
| CAS Number | 49776-81-0 |
| FDA UNII | G1Q3G6DQPO |
| Molecular Formula | C7 H11 N S |
| Molecular Weight | 141.23667000 |
| Nikkaji Number | J634.912I |
Regulatory
| JECFA Food Flavoring | 1894 5-hexenyl isothiocyanate |
| FEMA Number | 4421 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 49776-81-0 ; 5-HEXENYL ISOTHIOCYANATE |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.95500 to 0.96500 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.956 to 8.039 |
| Refractive Index | 1.50600 to 1.51600 @ 20.00 °C. |
| Boiling Point | 213.00 to 214.00 °C. @ 760.00 mm Hg, 74.00 to 76.00 °C. @ 3.00 mm Hg |
| Vapor Pressure | 0.245000 mmHg @ 25.00 °C. (est) |
| Flash Point | 174.00 °F. TCC ( 78.89 °C. ) |
| logP (o/w) | 3.416 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
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 5-hexenyl 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 | 50.00000 |
| 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 | 10.00000 |
| snack foods | 2.00000 |
| soft candy | 2.00000 |
| soups | 1.00000 |
| sugar substitutes | - |
| sweet sauces | - |
Chemical sources Association Inc
Exchange of knowledge
Need This Item for Flavor? You can contact the Chemical Sources Association.
Potential Uses
Natural Occurrence
Synonyms
5-
hexen-1-yl isothiocyanate
1-
hexene, 6-isothiocyanato-
6-iso
thiocyanato-1-hexene
6-iso
thiocyanatohex-1-ene
iso
thiocyanic acid hex-5-enyl ester
PubMed:
Inhibitory effects of wasabi isothiocyanates on chemical mediator release in RBL-2H3 rat basophilic leukemia cells.