253731

Phenethyl isothiocyanate

99%

• Synonym(s): 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: 12352100
• PubChem Substance ID: 24855324
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.5888 (lit.)
• bp: 139-140 °C/11 mmHg (lit.)
• density: 1.094 g/mL at 25 °C (lit.)
• functional group: amine; isothiocyanate; phenyl
• 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
• Gene Information: human ... CYP1A2(1544)

Description

General description

Phenethyl isothiocyanate is a naturally occurring isothiocyanate in cruciferous vegetables. Phenethyl isothiocyanate is a chemopreventive agent. It inhibits cancer cell growth by arresting the cell cycle and inducing apoptosis in various human cancer cell models.

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: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves