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| | Butyl isothiocyanate Basic information |
| | Butyl isothiocyanate Chemical Properties |
| Melting point | 115 °C | | Boiling point | 70-71 °C35 mm Hg(lit.) | | density | 0.955 g/mL at 25 °C(lit.) | | FEMA | 4082 | BUTYL ISOTHIOCYANATE | | refractive index | n20/D 1.5(lit.) | | Fp | 66 °C | | form | clear liquid | | color | Colorless to Light yellow | | Odor | at 0.01 % in propylene glycol. sulfury pungent green | | Odor Type | sulfurous | | Water Solubility | Insoluble in water. | | Sensitive | Moisture Sensitive | | JECFA Number | 1561 | | BRN | 906839 | | Major Application | cleaning products
cosmetics
food and beverages
personal care | | InChI | 1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3 | | InChIKey | LIMQQADUEULBSO-UHFFFAOYSA-N | | SMILES | CCCCN=C=S | | LogP | 2.53 | | CAS DataBase Reference | 592-82-5(CAS DataBase Reference) | | EPA Substance Registry System | Butane, 1-isothiocyanato- (592-82-5) |
| Hazard Codes | C | | Risk Statements | 20/21/22-34-42 | | Safety Statements | 23-26-36/37-39-45 | | RIDADR | UN 1693 6.1/PG 2 | | WGK Germany | 3 | | RTECS | NX8420500 | | F | 3-21 | | Hazard Note | Corrosive/Moisture Sensitive | | TSCA | TSCA listed | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29309090 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Dam. 1
Resp. Sens. 1
Skin Corr. 1B
Skin Sens. 1 |
| | Butyl isothiocyanate Usage And Synthesis |
| Chemical Properties | Butyl isothiocyanate is a clear colorless to yellow liquid；strong irritating green aroma.It is a natural product found in Capparis spinosa, Brassica carinata, and Eutrema japonicum with data available. | | Uses | 1-Butyl isothiocyanate participates in the synthesis and characterization of Poly(N-Propargylthiourea). Participates in the Synthesis of 2-Aminobenzothiazoles via Copper (I)-Catalyzed Cross-Coupling with Part-Per-Million Catalyst Loadings. Thiols reactions with 1-Butyl isothiocyanate in aquatic toxicity data in the TETRATOX assay and reactivity data in an abiotic thiol assay. utyl isothiocyanate has been used as capping reagent to immobilize the functionalized derivative of Oregon Green 514 molecular switch on a preformed amino self assembled monlayer. | | Production Methods |
Butyl isothiocyanate is produced from n-Butylamine plus Carbon disulfide plus basic Lead acetate.
| | Definition | ChEBI: Butyl isothiocyanate is an isothiocyanate having a butyl group attached to the nitrogen. It has a role as a hapten. | | Aroma threshold values | 1.0%. Slightly pungent, rooty mustard, horseradish and wasabi-like with sulfurous onion and garlic note and a tropical nuance. | | Taste threshold values | 0.5 to 5 ppm. Horseradish and vegetative cabbage-like with rooty, wasabi, radishlike notes and leaving a
biting and metallic aftertaste. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 39, p. 1970, 1974 DOI: 10.1021/jo00927a049 | | General Description | Butyl isothiocyanate is the main component of volatile oil of leaf, ripe fruit and root of Capparis spinosa. |
| | Butyl isothiocyanate Preparation Products And Raw materials |
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