Butyl isothiocyanate
Synonym(s):Benzyl ITC;Butyl isothiocyanate;Butyl ITC;NSC 194808
- CAS NO.:592-82-5
- Empirical Formula: C5H9NS
- Molecular Weight: 115.2
- MDL number: MFCD00004824
- EINECS: 209-770-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-09 19:38:33
What is Butyl isothiocyanate?
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.
The Uses of Butyl isothiocyanate
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.
Definition
ChEBI: Butyl isothiocyanate is an isothiocyanate having a butyl group attached to the nitrogen. It has a role as a hapten.
Production Methods
Butyl isothiocyanate is produced from n-Butylamine plus Carbon disulfide plus basic Lead acetate.
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.
Properties of Butyl isothiocyanate
Melting point: | 115 °C |
Boiling point: | 70-71 °C35 mm Hg(lit.) |
Density | 0.955 g/mL at 25 °C(lit.) |
refractive index | n |
FEMA | 4082 | BUTYL ISOTHIOCYANATE |
Flash point: | 66 °C |
form | clear liquid |
color | Colorless to Light yellow |
Odor | at 0.01 % in propylene glycol. sulfury pungent green |
Water Solubility | Insoluble in water. |
Sensitive | Moisture Sensitive |
JECFA Number | 1561 |
BRN | 906839 |
CAS DataBase Reference | 592-82-5(CAS DataBase Reference) |
EPA Substance Registry System | Butane, 1-isothiocyanato- (592-82-5) |
Safety information for Butyl isothiocyanate
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 Health Hazard GHS08 |
GHS Hazard Statements |
H314:Skin corrosion/irritation H317:Sensitisation, Skin H334:Sensitisation, respiratory |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Butyl isothiocyanate
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