Benzyl isothiocyanate
- Product NameBenzyl isothiocyanate
- CAS622-78-6
- CBNumberCB4767442
- MFC8H7NS
- MW149.21
- EINECS210-753-9
- MDL NumberMFCD00004819
- MOL File622-78-6.mol
Chemical Properties
| Melting point: | 41 °C |
| Boiling point: | 242-243 |
| Density | 1.125 g/mL |
| FEMA | 4428 | BENZYL ISOTHIOCYANATE |
| refractive index | 1.60 |
| Flash point: | 106 °C |
| storage temp. | 2-8°C |
| solubility | 0.1g/l |
| form | clear liquid |
| Specific Gravity | 1.125 |
| color | Colorless to Orenge to Yellow green |
| Odor | at 0.10 % in dipropylene glycol. mild watercress dusty medicinal horseradish oily |
| Odor Type | watercress |
| biological source | synthetic |
| Water Solubility | Hydrolyzes in water. |
| Sensitive | Moisture Sensitive |
| JECFA Number | 1562 |
| BRN | 386135 |
| Major Application | flavors and fragrances |
| InChI | 1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| SMILES | S=C=NCc1ccccc1 |
| LogP | 3.16 |
| CAS DataBase Reference | 622-78-6(CAS DataBase Reference) |
| EPA Substance Registry System | Benzene, (isothiocyanatomethyl)- (622-78-6) |
Safety
| Symbol(GHS) |
  GHS07,GHS08 |
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| Signal word | Danger | |||||||||
| Hazard statements | H302-H315-H317-H319-H334-H335 | |||||||||
| Precautionary statements | P261-P264-P280-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xn,C,T | |||||||||
| Risk Statements | 20/21/22-36/37/38-42/43 | |||||||||
| Safety Statements | 26-36/37/39 | |||||||||
| RIDADR | 2810 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | NX8250000 | |||||||||
| F | 8-19-21 | |||||||||
| Hazard Note | Corrosive/Harmful/Store under nitrogen | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2930909099 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Oral Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |
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| Toxicity | mmo-sat 150 mg/plate ABCHA6 44,3017,80 | |||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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