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phenethyl isothiocyanate

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Origin: China

Cas No: 2257-09-2

Specification: 99%min

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  • Products Specification
  • Product Description
  • Property

    CAS No.: 2257-09-2 Formula: C9H9NS Molecular Weight: 163.23900

    Description

    Phenethyl isothiocyanate (PEITC) is a naturally occurring isothiocyanate that is found in some[which?] cruciferous vegetables.
    PEITC has been studied for its potential for chemoprevention of cancers, such as prostate cancer.
    In terms of biosynthesis, PEITC is produced from gluconasturtiin by the action of the enzyme myrosinase.

    Basic Info

    Chemical Name phenethyl isothiocyanate
    Synonyms

    PhCH2CH2NCS;
    Phenylethyl isothiocyanate;
    2-Phenylethyl Isothiocyanate;
    Phenethyl isothiocyanate;
    PEITC;
    Isothiocyanic Acid 2-Phenylethyl Ester;
    Phenylaethylsenfoel;
    Phenethyl mustard oil;
    2-phenylethyl-ITC;
    2-isothiocyanatoethylbenzene;

    CAS No. 2257-09-2
    Molecular Formula C9H9NS
    Molecular Weight 163.23900
    PSA 44.45000
    LogP 2.33190

    Properties

    Appearance & Physical State Colourless to pale yellow liquid
    Density 1.094
    Boiling Point 113ºC (1 mmHg)
    Flash Point 100ºC
    Refractive Index 1.586-1.591
    Water Solubility insoluble
    Storage Condition Refrigerator, Under Inert Atmosphere
    Vapor Pressure 0.0427mmHg at 25°C

    Safety Info

    RTECS NX9115000
    Hazard Class 8
    Safety Statements S36/37
    HS Code 2930909090
    Packing Group III
    WGK Germany 3
    RIDADR UN 2206
    Risk Statements R20/21/22
    Hazard Codes Xn
    Caution Statement P261; P280; P305 + P351 + P338; P342 + P311
    Signal Word Danger
    Hazard Declaration H302 + H312 + H332; H315; H317; H319; H334; H335
    Symbol GHS07, GHS08

    Synthesis Route

    phenethyl isothiocyanate cysteine conjugateL-Cysteine+phenethyl isothiocyanate
    carbon disulfide+2-phenylethylaminephenethyl isothiocyanate
    Triethylammonium-(2-phenylethyl)dithiocarbamatphenethyl isothiocyanate

    GC Analysis

    Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
    Capillary HP-5MS - 1465. temperature ramp
    Capillary HP-5MS - 1472.1 custom temperature program
    Capillary DB-Wax - 2234. temperature ramp
    Capillary DB-Wax - 2234. temperature ramp
    Capillary HP-1 - 1425. temperature ramp

    Precursor

    Triethylammonium-(2-phenylethyl)dithiocarbamat
    DI-2-PYRIDYL THIONOCARBONATE
    phenethyl-dithiocarbamic acid
    2-phenylethylamine

    Downstream Product

    1-Benzyl-3-phenethyl-2-thiourea
    N-(2-Phenylethyl)thiourea
    7-Amino-3,4-dihydroisoquinolin-1(2H)-one
    3,4-Dihydro-2H-isoquinolin-1-one

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