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Butyl isothiocyanate

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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
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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.)
Flash point:
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
LogP
2.53
CAS DataBase Reference
592-82-5(CAS DataBase Reference)
EPA Substance Registry System
Butane, 1-isothiocyanato- (592-82-5)
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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

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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

Preparation Products

Butyl isothiocyanateSupplier

Heze Lize Biotechnology Co., Ltd. Gold
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10-15853052 15853052030
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J & K SCIENTIFIC LTD.
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010-82848833 400-666-7788
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Meryer (Shanghai) Chemical Technology Co., Ltd.
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4006608290; 18621169109
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market03@meryer.com
Alfa Aesar
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400-6106006
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saleschina@alfa-asia.com
TCI (Shanghai) Development Co., Ltd.
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021-67121386
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Sales-CN@TCIchemicals.com