| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | isothiocyanatoethane |
| InChI : | InChI=1/C3H5NS/c1-2-4-3-5/h2H2,1H3 |
| InChIKey : | HBNYJWAFDZLWRS-UHFFFAOYAQ |
| SMILES : | CCN=C=S |
| (EINECS) number : | 208-831-2 |
| cas number : | 542-85-8 |
| beilstein number : | 1737705 |
| fema number : | 4420 |
| jecfa number : | 1885 |
| molar refractivity : | 26.56 ± 0.5 cm3 |
| parachor : | 211.2 ± 8.0 cm3 |
| index of refraction : | 1.485 ± 0.05 |
| surface tension : | 27.1 ± 7.0 dyne/cm |
| density : | 0.94 ± 0.1 g/cm3 |
| polarizability : | 10.52 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 87.1435000 |
| formula : | C3 H5 N S |
| BioActivity Analysis : | 122032 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2930.90.5050 |
| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 0.01 % solution or less |
odor description :
| pungent mustard garlic |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99700 - 1.00400 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.296 to 8.354
|
| refractive index : | 1.51000 - 1.51500 @ 20.00 °C.
|
| boiling point : | 130.00 - 132.00 °C. @ 760.00 mm Hg
|
| logp : | 1.47 |
| safety : | |
| most important hazard(s) : |
T - Toxic. |
| | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 89.00 °F. TCC ( 31.67 °C. )
|
| | |
| recommendation for ethyl isothiocyanate usage levels up to : |
| | not for fragrance use.
|
| | |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| publication number : 23. |
| 4420 | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | 0.10000 | 0.50000 |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.50000 | 5.00000 |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.20000 | 1.00000 |
| snack foods : | 0.10000 | 0.50000 |
| soft candy : | - | - |
| soups : | 0.10000 | 0.50000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 208-831-2 |
| rtecs : | NX8590000 for 542-85-8 |
| chemidplus : | 000542858 |
| epa-srs : | 542-85-8 |
| dtp/nci : | 84212 |
| | |
| other : | |
| |
|
| references : | |
| jecfa number : | 1885 |
| pubchem : | 154267 |
| NIST Chemistry WebBook : | 4223134235 |
| | |