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Butyl isothiocyanate

analytical standard

Synonym: NSC 194808

  • CAS Number 592-82-5

  • Linear Formula CH3(CH2)3NCS

  • Molecular Weight 115.20

  •  Beilstein/REAXYS Number 906839

  •  EC Number 209-770-4

  •  MDL number MFCD00004824

  •  NACRES NA.24

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Properties

Related Categories A-L, Analytical Standards, Analytical/Chromatography, Flavor and Fragrance Standards, Food and Cosmetic Component Standards More...
Quality Level   100
grade   analytical standard
assay   ≥98.0% (GC)
shelf life   limited shelf life, expiry date on the label
refractive index   n20/D 1.5 (lit.)
bp   70-71 °C/35 mmHg (lit.)
density   0.955 g/mL at 25 °C (lit.)
Featured Industry   Cleaning Products
Cosmetics
Food and Beverages
Personal Care
storage temp.   room temp
SMILES string   CCCCN=C=S
InChI   1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
InChI key   LIMQQADUEULBSO-UHFFFAOYSA-N

Description

General description

Butyl isothiocyanate, an organic isothiocyanate, is a common volatile constituent of various vegetables and plants.

Application

Butyl isothiocyanate can be used as an analytical standard in the determination of the analyte by using the following techniques:
• High-performance liquid chromatography (HPLC) determination of rapeseeds and rapeseed meal, and enzyme hydrolysates of Tropaeolum tuberosum.
• Gas chromatography-mass spectrometry (GC-MS) analysis of Chinese medicinal herbs and horseradish samples.

It may also be used as an internal standard for the quantification of isothiocyanate irritant constituents in Cappers Spinoza by GC.

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
RIDADR 
UN 3264 8 / PGII
WGK Germany 
WGK 3
RTECS 
NX8420500
Flash Point(F) 
150.8 °F - closed cup
Flash Point(C) 
66 °C - closed cup
Protocols & Articles
Peer-Reviewed Papers
15

References

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