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Isothiocyanic acid 3-buten-1-yl ester manufacturers
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| | Isothiocyanic acid 3-buten-1-yl ester Basic information |
| Product Name: | Isothiocyanic acid 3-buten-1-yl ester | | Synonyms: | Isothiocyanic acid, 3-butenyl ester;1-BUTENE-4-ISOTHIOCYANATE;3-BUTEN-1-YL ISOTHIOCYANATE;ISOCYANIC ACID 3-BUTEN-1-YL ESTER;3-Buten-1-ylIsothiocyanate>;4-isothiocyanatobut-1-ene;4-Isothiocyanato-1-butene, 95+%;SOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER | | CAS: | 3386-97-8 | | MF: | C5H7NS | | MW: | 113.18 | | EINECS: | 222-209-8 | | Product Categories: | | | Mol File: | 3386-97-8.mol |  |
| | Isothiocyanic acid 3-buten-1-yl ester Chemical Properties |
| Boiling point | 77 °C / 21mmHg | | density | 0.99 | | refractive index | 1.5210 to 1.5240 | | FEMA | 4418 | 3-BUTENYL ISOTHIOCYANATE | | solubility | Acetonitrile (Slightly), Chloroform (Soluble), Dichloromethane (Slightly), Metha | | form | clear liquid | | color | Colorless to Light orange to Yellow | | Odor | aromatic pungent | | JECFA Number | 1889 | | Stability: | Light Sensitive, Volatile | | LogP | 2.64 |
| Risk Statements | 36 | | Safety Statements | 26 | | RIDADR | UN 1992 3/6.1/PG III | | HazardClass | 3/6.1 | | PackingGroup | III | | HS Code | 2930909899 |
| | Isothiocyanic acid 3-buten-1-yl ester Usage And Synthesis |
| Chemical Properties | Colorless liquid; penetrating aroma. | | Occurrence | Reported found in horseradish, mustard, and wasabi. | | Uses | 3-Butenyl isothiocyanate is a useful building block and has been proposed to have demonstrated anticancer effects in colorectal cancer, however little is known about their effect in colorectal cancers and tumor initiation properties. | | Definition | ChEBI: 4-isothiocyanato-1-butene is an isothiocyanate. | | Aroma threshold values | High strength odor, recommend smelling in a 0.01% solution or less. | | Synthesis | N, N-dimethylformamide (DMF) (480 g, 6.57 mol) was added to a mixture of 4-bromo-1-butene (160 g, 1.19 mol) and potassium thiocyanate (114 g, 1.17 mol), and the mixture was stirred at 100 C for 1.5 h. The insoluble material was removed, the mixture was evaporated, and the DMF-containing 3-butene thiocyanate ( 560 g). Sodium iodide (208 g, 1.40 mol) and calcium carbonate (11.2 g, 0.11 mol) were added to 3-butenyl thiocyanate and the mixture was refluxed with stirring for 2 h. The insoluble material was removed and the mixture was distilled. The insoluble material was removed and the remaining mixture was distilled to obtain 3-butenyl isothiocyanate. |
| | Isothiocyanic acid 3-buten-1-yl ester Preparation Products And Raw materials |
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