Benzyl isothiocyanate
SIAL/89983 - analytical standard
Synonym: Benzyl mustard oil; Isothiocyanotaomethylbenzene
CAS Number: 622-78-6
Empirical Formula (Hill Notation): C8H7NS
Molecular Weight: 149.21
EC Number: 210-753-9
MDL Number: MFCD00004819
Linear Formula: C6H5CH2NCS
Product Type: Chemical
application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
assay | ≥98.5% (GC) |
bp | 242-243 °C (lit.) |
density | 1.125 g/mL at 25 °C (lit.) |
format | neat |
grade | analytical standard |
impurities | ≤0.5% water |
InChI | 1S/C8H7NS/c10-7-9-6-8-4-2 |
InChI key | MDKCFLQDBWCQCV-UHFFFAOYSA |
Quality Level | 100 ![]() |
refractive index | n |
n |
|
shelf life | limited shelf life, expiry date on the label |
SMILES string | S=C=NCc1ccccc1 |
technique(s) | gas chromatography (GC): suitable |
HPLC: suitable |
Application: | Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support. |
Symbol | ![]() ![]() |
Signal word | Danger |
Hazard statements | H302 - H315 - H317 - H319 - H334 - H335 |
Precautionary statements | P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 |
Hazard Codes | Xn |
Risk Statements | 20/21/22-36/37/38-42/43 |
Safety Statements | 26-36/37/39 |
RIDADR | UN 3334 |
WGK Germany | WGK 3 |
Flash Point(F) | 222.8 °F |
Flash Point(C) | 106 °C |
Purity | ≥98.5% (GC) |
bp | 242-243 °C (lit.) |
Density | 1.125 g/mL at 25 °C (lit.) |
Refractive Index | n |
UNSPSC | 85151701 |