Butyl isothiocyanate

CAS No.：592-82-5

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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;Butyl isothiocyate, 99%
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 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
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

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	Yes
HazardClass	8
PackingGroup	III
HS Code	29309090

MSDS Information

Provider	Language
SigmaAldrich	English
ACROS	English
ALFA	English

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.
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

Raw materials	N-Butyltrifluoroacetamide-->ethyl butyldithiocarbamate-->Butyldithiocarbamic acid-->N-BUTYLISOCYANIDE-->1-NITROPENTANE-->Phenyl isothiocyanate-->Carbon disulfide-->Ethanethiol-->Butylamine-->Potassium thiocyanate
Preparation Products	Buprofezin-->1-Butylimidazole-->N-BUTYLTHIOUREA-->2-Hydroxypyridine-->2-Methylpropanethioamide

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