Identification

Nameamyl isothiocyanate
IUPAC1-isothiocyanatopentane
CAS Number629-12-9
EINECS211-075-6
FDA UNIIKL6U8NL15R
Molecular FormulaC6 H11 N S
Molecular Weight129.22567000
MDL NumberMFCD00014444
Nikkaji NumberJ95.714C
Beilstein1746691
XlogP33.50 (est)

Regulatory

JECFA Food Flavoring1891 amyl isothiocyanate
FEMA Number4417
FDANo 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 informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for amyl isothiocyanate usage levels up tonot for fragrance use.
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes5.00000
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 grains0.10000
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors0.10000
snack foods0.10000
soft candy-
soups0.10000
sugar substitutes-
sweet sauces-

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Potential Uses

FL horseradish FL radish FL wasabi

Natural Occurrence

radish japanese radish

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.