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HomeProduct name listButyl isothiocyanate

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: 2024-11-19 23:02:33
Butyl isothiocyanate Structural

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  n20/D 1.5(lit.)
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)
ghs
Corrosion
Corrosives
GHS05
ghs
Exclamation Mark
Irritant
GHS07
ghs
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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