Butyl isothiocyanate

Butyl isothiocyanate Basic information
Product Name:Butyl isothiocyanate
Synonyms:Butane, 1-isothiocyanato-;BUTYL ISOTHIOCYANATE(RG);butyl isorhodanate;butyl isorhodanide;butyl isosulfocyanate;butyl isosulfocyanide;butyl isthiocyanide;n-Butyl isothiocyanate, 98+%
CAS:592-82-5
MF:C5H9NS
MW:115.2
EINECS:209-770-4
Product Categories:Organics;Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
Mol File:592-82-5.mol
Butyl isothiocyanate Structure
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.)
refractive index n20/D 1.5(lit.)
FEMA 4082 | BUTYL ISOTHIOCYANATE
Fp 66 °C
form clear liquid
color Colorless to Light yellow
Odorat 0.01 % in propylene glycol. sulfury pungent green
Odor Typesulfurous
Water Solubility Insoluble in water.
Sensitive Moisture Sensitive
JECFA Number1561
BRN 906839
LogP2.53
CAS DataBase Reference592-82-5(CAS DataBase Reference)
EPA Substance Registry SystemButane, 1-isothiocyanato- (592-82-5)
Safety Information
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
3-21
Hazard Note Corrosive/Moisture Sensitive
TSCA Yes
HazardClass 8
PackingGroup III
HS Code 29309090
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
Butyl isothiocyanate Usage And Synthesis
Chemical PropertiesButyl 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.
Uses1-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.
DefinitionChEBI: Butyl isothiocyanate is an isothiocyanate having a butyl group attached to the nitrogen. It has a role as a hapten.
Aroma threshold values1.0%. Slightly pungent, rooty mustard, horseradish and wasabi-like with sulfurous onion and garlic note and a tropical nuance.
Taste threshold values0.5 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 DescriptionButyl isothiocyanate is the main component of volatile oil of leaf, ripe fruit and root of Capparis spinosa.
2-BUTYL ISOTHIOCYANATE,SEC-BUTYL ISOTHIOCYANATE,SEC-BUTYL ISOTHIOCYANATE 97% CYCLOHEPTYL ISOTHIOCYANATE CYCLOHEXANEMETHYL ISOTHIOCYANATE HEXADECYL ISOTHIOCYANATE HEXYL ISOTHIOCYANATE Octadecyl isothiocyanate 4-(Methanesulfonyl)butyl isothiocyanate 3-(ISOTHIOCYANATOMETHYL)-2,2,5,5-TETRAMETHYL-1-PYRROLIDINYLOXY (-)-[(R)-sec-Butyl] isothiocyanate,[R,(-)]-sec-Butyl isothiocyanate,[R,(-)]-2-Isothiocyanatobutane DODECYL ISOTHIOCYANATE PENTYL ISOTHIOCYANATE 4-ISOTHIOCYANATO-2,2,6,6-TETRAMETHYLPIPERIDINE 1-OXYL 3,5,5-TRIMETHYLCYCLOHEXYL ISOTHIOCYANATE TERT-OCTYL ISOTHIOCYANATE (+)-[(S)-sec-Butyl] isothiocyanate,[S,(+)]-sec-Butyl isothiocyanate,[S,(+)]-2-Isothiocyanatobutane TETRADECYL ISOTHIOCYANATE 3-METHYL-2-BUTYL ISOTHIOCYANATE DECYL ISOTHIOCYANATE

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