2-Phenylethyl isothiocyanate , 99% , 2257-09-2

Synonym(s):
2-Phenylethyl isothiocyanate;PEITC;Phenethyl isothiocyanate

CAS NO.：2257-09-2

Empirical Formula: C9H9NS

Molecular Weight: 163.24

MDL number: MFCD00004821

EINECS: 218-855-5

PRODUCT Properties

• Melting point: 143～145℃
• Boiling point: 75 °C0.25 mm Hg
• Density: 1.094 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.5888(lit.)
• FEMA: 4014 | PHENETHYL ISOTHIOCYANATE
• Flash point: >230 °F
• storage temp.: 2-8°C
• solubility: DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
• form: Liquid
• Specific Gravity: 1.09
• color: Clear colorless to yellow
• Odor: at 0.01 % in propylene glycol. green horseradish gooseberry watercress
• Odor Type: sulfurous
• biological source: synthetic
• Water Solubility: insoluble
• Sensitive: Moisture Sensitive
• JECFA Number: 1563
• Merck: 14,7226
• BRN: 2084162
• InChIKey: IZJDOKYDEWTZSO-UHFFFAOYSA-N
• LogP: 3.47
• CAS DataBase Reference: 2257-09-2(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, (2-isothiocyanatoethyl)-(2257-09-2)
• EPA Substance Registry System: Benzene, (2-isothiocyanatoethyl)- (2257-09-2)

Description and Uses

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.

Phenethyl isothiocyanate is an NNK-induced lung tumorigenesis inhibitor.

Safety

• Symbol(GHS): GHS07,GHS08
• 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 Codes: Xn
• Risk Statements: 20/21/22-36/37/38-42-42/43
• Safety Statements: 23-26-36-36/37
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• RTECS: NX9115000
• F: 10-23
• TSCA: Yes
• HazardClass: 8
• PackingGroup: III
• HS Code: 29309090
• Toxicity: LD50 in mice (mg/kg): 700 orally; 150 s.c.; 50 i.v. (Lichtenstein)