S3872651
PESTANAL ,analyticalstandard , 57-06-7
Synonym(s):
AITC;Oil of mustard
CAS NO.：57-06-7
Empirical Formula: C4H5NS
Molecular Weight: 99.15
MDL number: MFCD00004822
EINECS: 200-309-2
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -80 °C |
| Boiling point: | 151 °C |
| Density | 1.013 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 2034 | ALLYL ISOTHIOCYANATE |
| Flash point: | 115 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| form | Fine Crystalline Powder |
| color | White |
| Odor | at 0.01 % in propylene glycol. strong pungent mustard |
| Odor Type | sulfurous |
| biological source | synthetic |
| Water Solubility | 2 g/L (20 ºC) |
| Sensitive | Moisture Sensitive |
| Merck | 14,295 |
| JECFA Number | 1560 |
| BRN | 773748 |
| Dielectric constant | 17.199999999999999 |
| Stability: | Stable. Combustible. Incompatible with oxidizing agents, acids, water, alcohols, strong bases, amines. Darkens on aging. |
| Major Application | flavors and fragrances |
| InChI | 1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| SMILES | C=CCN=C=S |
| LogP | 2.15 |
| CAS DataBase Reference | 57-06-7(CAS DataBase Reference) |
| IARC | 3 (Vol. 73, Sup 7) 1999 |
| NIST Chemistry Reference | Allyl isothiocyanate(57-06-7) |
| EPA Substance Registry System | Allyl isothiocyanate (57-06-7) |
Description and Uses
Allyl isothiocyanate, also known as mustard oil, is a synthetic flavoring agent that is used as an artificial oil of mustard and as an imitation horseradish flavor with application in condiments, meats, and pickles at 87 ppm. It has additional applications as an antiseptic, antiamebic, manufacture of flavors and war gas.
Safety
| Symbol(GHS) |     GHS02,GHS05,GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H226-H302-H310+H330-H314-H317-H410 |
| Precautionary statements | P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | T,N |
| Risk Statements | 10-24/25-36/37/38-42/43-50/53-43-23/24/25-34-25 |
| Safety Statements | 26-36/37-45-60-61-36/37/39-28B-24-16-23-7/8 |
| RIDADR | UN 1545 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | NX8225000 |
| F | 8-9-13-19 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | II |
| HS Code | 29309070 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 2 Dermal Acute Tox. 2 Inhalation Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1B Skin Sens. 1 |
| Hazardous Substances Data | 57-06-7(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 339 mg/kg (Jenner) |
