|
| | BENZYL ISOTHIOCYANATE Basic information |
| | BENZYL ISOTHIOCYANATE Chemical Properties |
| Melting point | 41 °C | | Boiling point | 242-243 °C(lit.) | | density | 1.125 g/mL at 25 °C(lit.) | | FEMA | 4428 | BENZYL ISOTHIOCYANATE | | refractive index | n20/D 1.6018(lit.) | | Fp | >235 °F | | storage temp. | 2-8°C | | solubility | 0.1g/l | | form | Liquid | | Specific Gravity | 1.125 | | color | Clear yellow | | Odor | at 0.10 % in dipropylene glycol. mild watercress dusty medicinal horseradish oily | | Odor Type | watercress | | Water Solubility | Hydrolyzes in water. | | Sensitive | Moisture Sensitive | | JECFA Number | 1562 | | BRN | 386135 | | InChIKey | MDKCFLQDBWCQCV-UHFFFAOYSA-N | | LogP | 3.16 | | CAS DataBase Reference | 622-78-6(CAS DataBase Reference) | | EPA Substance Registry System | Benzene, (isothiocyanatomethyl)- (622-78-6) |
| 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 | T | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29309090 | | Toxicity | mmo-sat 150 mg/plate ABCHA6 44,3017,80 |
| | BENZYL ISOTHIOCYANATE Usage And Synthesis |
| Chemical Properties | Pale yellowish liquid; strong, penetrating aroma. | | Chemical Properties | clear yellow liquid | | Occurrence | Reported found in common cress, Lepidium sativum, nasturtium, and Tropaeolum majus. | | Uses | Benzyl isothiocyanate has been used in the preparation of S-(N-benzylthiocarbamoyl)-L-glutathione and S-(N-benzylthiocarbamoyl)-L-cysteine. | | Uses | antineoplastic, antibacterial, antifungal | | Uses | A novel medical application of isothiocyanate ester in treating various leukemia, with low toxicity, which includes benzyl isothiocyanate, phenylethyl isothiocyanate, allyl isothiocyanate, sulforaphane, and erucin. Benzyl isothiocyanate (BITC) inhibits the growth of human pancreatic cancer cells by inducing apoptosis. | | Definition | ChEBI: Benzyl isothiocyanate is an isothiocyanate and a member of benzenes. It has a role as an antibacterial drug. | | Aroma threshold values | Medium strength odor, watercress type; recommend smelling in a 1.0% solution or less. | | Synthesis Reference(s) | Tetrahedron Letters, 33, p. 7021, 1992 DOI: 10.1016/S0040-4039(00)60922-X | | General Description | Benzyl isothiocyanate is a naturally-occurring constituent of cruciferous vegetables. It has antibacterial properties and its metabolism in man has been investigated. It inhibits chemically induced cancer in animal models. | | Hazard | Very irritant to tissues. | | Biochem/physiol Actions | Odor at 1.0%: Vegetative cabbage and radishlike, green with a musty sulfurous earthiness reminiscent of mustard greens.Taste at 0.5ppm: Green vegetative cabbage, kimchi, radish and wasabi-like with green leafy nuances and imparting a strong trigeminal tongue numbing and raspy sensation. | | Safety Profile | Poison by intraperitoneal andsubcutaneous routes. Intensely irritating. Mutation datareported. Moderate fire hazard via heat, flame, andoxidizers. To fight fire, use water, spray, foam, drychemical. When heated to decomposition it emits verytoxic NOx |
| | BENZYL ISOTHIOCYANATE Preparation Products And Raw materials |
|
