ethyl isothiocyanate
isothiocyanatoethane
Identification
| Name | ethyl isothiocyanate |
| IUPAC | isothiocyanatoethane |
| CAS Number | 542-85-8 |
| EINECS | 208-831-2 |
| FDA UNII | 3284MJ2T8P |
| Molecular Formula | C3 H5 N S |
| Molecular Weight | 87.14485000 |
| MDL Number | MFCD00004820 |
| Nikkaji Number | J33.544D |
| Beilstein | 1737705 |
| XlogP3 | 1.50 (est) |
Regulatory
| JECFA Food Flavoring | 1885 ethyl isothiocyanate |
| FEMA Number | 4420 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 542-85-8 ; ETHYL ISOTHIOCYANATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.99700 to 1.00400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.296 to 8.354 |
| Refractive Index | 1.51000 to 1.51500 @ 20.00 °C. |
| Melting Point | -6.00 to -4.00 °C. @ 760.00 mm Hg |
| Boiling Point | 130.00 to 132.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 11.450000 mmHg @ 25.00 °C. (est) |
| Flash Point | 89.00 °F. TCC ( 31.67 °C. ) |
| logP (o/w) | 1.470 |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 0.01 % in propylene glycol. |
Safety Information
| Preferred SDS | View |
| 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 ethyl isothiocyanate usage levels up to | not for fragrance use. |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | 0.10000 |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.50000 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 0.20000 |
| snack foods | 0.10000 |
| soft candy | - |
| soups | 0.10000 |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
1,1'-
dichlorodimethyl ether
ethane, isothiocyanato-
ethyl mustard oil
ethyl thioisocyanate
ethylisothiocyanate
iso
thiocyanato-ethane
iso
thiocyanatoethane
iso
thiocyanic acid ethyl ester
iso
thiocyanic acid, ethyl ester
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