Butyl isothiocyanate
SIAL/16313 - analytical standard
Synonym: Benzyl ITC; Butyl ITC; NSC 194808
CAS Number: 592-82-5
Empirical Formula (Hill Notation): C5H9NS
Molecular Weight: 115.20
EC Number: 209-770-4
MDL Number: MFCD00004824
Linear Formula: CH3(CH2)3NCS
Product Type: Chemical
| application(s) | cleaning products cosmetics food and beverages personal care |
| assay | ≥98.0% (GC) |
| bp | 70-71 °C/35 mmHg (lit.) |
| density | 0.955 g/mL at 25 °C (lit.) |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C5H9NS/c1-2-3-4-6-5-7/ |
| InChI key | LIMQQADUEULBSO-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCCN=C=S |
| Application: | Butyl isothiocyanate can be used as an analytical standard in the determination of the analyte by using the following techniques: • High-performance liquid chromatography (HPLC) determination of rapeseeds and rapeseed meal, and enzyme hydrolysates of Tropaeolum tuberosum. • Gas chromatography-mass spectrometry (GC-MS) analysis of Chinese medicinal herbs and horseradish samples. It may also be used as an internal standard for the quantification of isothiocyanate irritant constituents in Cappers Spinoza by GC. |
| General description: | Butyl isothiocyanate, an organic isothiocyanate, is a common volatile constituent of various vegetables and plants. |
| Symbol |    GHS05,GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H302 + H312 + H332 - H314 - H317 - H334 |
| Precautionary statements | P261 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| RIDADR | UN 3264 8 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 150.8 °F - closed cup |
| Flash Point(C) | 66 °C - closed cup |
| Purity | ≥98.0% (GC) |
| bp | 70-71 °C/35 mmHg (lit.) |
| Density | 0.955 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352200 |