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: 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.[1][2][3][4][5][6]

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,[1] and enzyme hydrolysates of Tropaeolum tuberosum.[2]
• Gas chromatography-mass spectrometry (GC-MS) analysis of Chinese medicinal herbs[3] and horseradish samples.[7]

It may also be used as an internal standard for the quantification of isothiocyanate irritant constituents in Cappers Spinoza by GC.[8]

Recommended products

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Safety Information

• Pictograms: GHS08,GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312 + H332,H314,H317,H334
• Precautionary Statements: 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 Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): 150.8 °F - closed cup
• Flash Point(C): 66 °C - closed cup