16313

Butyl isothiocyanate

analytical standard

• Synonym(s): Benzyl ITC, Butyl ITC, NSC 194808
• Linear Formula: CH₃(CH₂)₃NCS
• CAS Number: 592-82-5
• Molecular Weight: 115.20
• Beilstein/REAXYS Number: 906839
• EC Number: 209-770-4
• MDL number: MFCD00004824
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• 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.)
• application(s): cleaning products; cosmetics; food and beverages; personal care
• format: neat
• 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.

Recommended products

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Safety Information

• pictograms: GHS08,GHS05,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H314,H317,H334
• pcodes: P261 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 150.8 °F - closed cup
• flash_point_c: 66 °C - closed cup