amyl isothiocyanate
1-isothiocyanatopentane
Identification
| Name | amyl isothiocyanate |
| IUPAC | 1-isothiocyanatopentane |
| CAS Number | 629-12-9 |
| EINECS | 211-075-6 |
| FDA UNII | KL6U8NL15R |
| Molecular Formula | C6 H11 N S |
| Molecular Weight | 129.22567000 |
| MDL Number | MFCD00014444 |
| Nikkaji Number | J95.714C |
| Beilstein | 1746691 |
| XlogP3 | 3.50 (est) |
Regulatory
| JECFA Food Flavoring | 1891 amyl isothiocyanate |
| FEMA Number | 4417 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 629-12-9 ; AMYL ISOTHIOCYANATE |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.94200 to 0.94800 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.848 to 7.898 |
| Refractive Index | 1.49500 to 1.50100 @ 20.00 °C. |
| Boiling Point | 117.00 to 119.00 °C. @ 70.00 mm Hg, 191.00 to 193.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.649000 mmHg @ 25.00 °C. (est) |
| Flash Point | 89.00 °F. TCC ( 31.67 °C. ) |
| logP (o/w) | 3.172 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| 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 | green |
Safety Information
| European information | Most important hazard(s): |
| 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 amyl isothiocyanate usage levels up to | not for fragrance use. |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | 5.00000 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | 0.10000 |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 0.10000 |
| snack foods | 0.10000 |
| soft candy | - |
| soups | 0.10000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
N-
amyl isothiocyanate
pentane, 1-isothiocyanato-
pentanisothiocyanate
pentyl isothiocyanate
1-
pentyl isothiocyanate
N-
pentyl isothiocyanate
1-iso
thiocyanato-pentane
1-iso
thiocyanatopentane
iso
thiocyanic acid pentyl ester
PubMed:
Use of TD-GC-TOF-MS to assess volatile composition during post-harvest storage in seven accessions of rocket salad (Eruca sativa).
PubMed:
Nematicidal Activity of the Volatilome of Eruca sativa on Meloidogyne incognita.
PubMed:
Effect of direction (epidermis-to-dermis and dermis-to-epidermis) on the permeation of several chemical compounds through full-thickness skin and stripped skin.
PubMed:
Glucosinolate profiling and antimicrobial screening of Aurinia leucadea (Brassicaceae).
PubMed:
Inhibition of methyl-n-amylnitrosamine hydroxylation by diallyl sulfide and phenethylisothiocyanate in the rat.
PubMed:
Respective role of lipoxygenase and nitric oxide-synthase pathways in plasma histamine-induced macromolecular leakage in conscious hamsters.
PubMed:
Diffusion of dialkylnitrosamines into the rat esophagus as a factor in esophageal carcinogenesis.
PubMed:
Co-existence of cationic and chloride components in odorant-induced current of vertebrate olfactory receptor cells.
PubMed:
Inhibition by phenylethyl and phenylhexyl isothiocyanate of metabolism of and DNA methylation by N-nitrosomethylamylamine in rats.
PubMed:
Alpha-1-adrenergic modulation of K and Cl transport in bovine retinal pigment epithelium.