68488

Phenethyl isothiocyanate

analytical standard

• Synonym(s): PEITC, 2-Phenylethyl isothiocyanate
• Linear Formula: C₆H₅CH₂CH₂NCS
• CAS Number: 2257-09-2
• Molecular Weight: 163.24
• Beilstein/REAXYS Number: 2084162
• EC Number: 218-855-5
• MDL number: MFCD00004821
• UNSPSC Code: 85151701
• PubChem Substance ID: 329760932
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥98.5% (GC)
• shelf life: limited shelf life, expiry date on the label
• refractive index: n20/D 1.5888 (lit.); n20/D 1.589-1.591
• bp: 139-140 °C/11 mmHg (lit.)
• density: 1.094 g/mL at 25 °C (lit.)
• format: neat
• storage temp.: 2-8°C
• SMILES string: S=C=NCCc1ccccc1
• InChI: 1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
• InChI key: IZJDOKYDEWTZSO-UHFFFAOYSA-N

Description

General description

Phenethyl isothiocyanate, an organic isothiocyanate, is a cruciferous vegetable ingredient present as a glucosinolate in cabbage, turnips, radishes, etc. It is a well-known chemopreventive agent reported to be effective against cancers affecting the lung, breast, pancreas, prostate and so on.[1]

Application

Phenethyl isothiocyanate may be used as an analytical standard for the determination of the analyte in biological samples[1][2][3][4] and vegetable extracts[5] by various chromatography techniques.

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H315,H317,H319,H334,H335
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup