68488

Phenethyl isothiocyanate

analytical standard

• Synonym(s): PEITC, 2-Phenylethyl isothiocyanate
• Linear Formula: C₆H₅CH₂CH₂NCS
• CAS Number: 2257-09-2
• Molecular Weight: 163.24
• Beilstein: 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.

Application

Phenethyl isothiocyanate may be used as an analytical standard for the determination of the analyte in biological samples and vegetable extracts by various chromatography techniques.

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312 + H332,H315,H317,H319,H334,H335
• Precautionary Statements: 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 Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup