4-pentenyl isothiocyanate
5-isothiocyanatopent-1-ene
Identification
| Name | 4-pentenyl isothiocyanate |
| IUPAC | 5-isothiocyanatopent-1-ene |
| CAS Number | 18060-79-2 |
| FDA UNII | HL8X1CRR9B |
| Molecular Formula | C6 H9 N S |
| Molecular Weight | 127.20973000 |
| MDL Number | MFCD00191527 |
| Nikkaji Number | J45.901A |
Regulatory
| JECFA Food Flavoring | 1893 4-pentenyl isothiocyanate |
| FEMA Number | 4427 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 18060-79-2 ; 4-PENTENYL ISOTHIOCYANATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.97000 to 0.97600 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.081 to 8.131 |
| Refractive Index | 1.51300 to 1.51900 @ 20.00 °C. |
| Boiling Point | 182.00 to 183.00 °C. @ 760.00 mm Hg, 57.00 to 58.00 °C. @ 3.00 mm Hg |
| Vapor Pressure | 1.087000 mmHg @ 25.00 °C. (est) |
| Flash Point | 136.00 °F. TCC ( 57.78 °C. ) |
| logP (o/w) | 3.014 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 0.01 % in propylene glycol. |
Safety Information
| Preferred SDS | View |
| 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-pentenyl 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 | 100.00000 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 3.00000 |
| 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 | 10.00000 |
| snack foods | 2.00000 |
| soft candy | 3.00000 |
| soups | 0.50000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
4-
penten-1-yl isothiocyanate
1-
pentene, 5-isothiocyanato-
1-
pentene,5-isothiocyanato-
4-
pentenyl ester isothiocyanic acid
5-iso
thiocyanatopent-1-ene
iso
thiocyanic acid 4-penten-1-yl ester
iso
thiocyanic acid pent-4-enyl ester
5-iso
thiocyano-1-pentene
PubMed:
Evaluation of antibacterial activity of 3-butenyl, 4-pentenyl, 2-phenylethyl, and benzyl isothiocyanate in Brassica vegetables.
PubMed:
Male Phyllotreta striolata (F.) produce an aggregation pheromone: identification of male-specific compounds and interaction with host plant volatiles.
PubMed:
Hexane extract of Raphanus sativus L. roots inhibits cell proliferation and induces apoptosis in human cancer cells by modulating genes related to apoptotic pathway.
PubMed:
Chemical Investigation of Some Capparis Species Growing in Egypt and their Antioxidant Activity.
PubMed:
Behavioral and electrophysiological responses of Aphids to host and nonhost plant volatiles.
PubMed:
[Isothiocyanate and vinyl thio-oxazolidone contents of rape seeds and rape seed oil].