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allyl isothiocyanate

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Origin: China

Cas No: 57-06-7

Specification: 99%min

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Supply Ability: 50 mt/month

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  • Products Specification
  • Product Description

  • Property

    CAS No.: 57-06-7 Formula: C4H5NS Molecular Weight: 99.15420

    Description

    Allyl isothiocyanate (AITC) is the organosulfur compound with the formula CH2CHCH2NCS. This colorless oil is responsible for the pungent taste of mustard, radish, horseradish, and wasabi. This pungency and the lachrymatory effect of AITC is mediated through the TRPA1 and TRPV1 ion channels. It is slightly soluble in water, but more soluble in most organic solvents.

    Basic Info

    Chemical Name allyl isothiocyanate
    Synonyms

    FEMA 2034;
    femano.2034;
    carbospol;
    1-Propene, 3-isothiocyanato-;
    senfoel;
    Allylsenfoel;
    Allylsenevol;
    Allyl isothiocyanate;
    Redskin;
    AITK;

    CAS No. 57-06-7
    Molecular Formula C4H5NS
    Molecular Weight 99.15420
    PSA 44.45000
    LogP 1.27520

    Properties

    Appearance & Physical State colourless or light amber oily liquid
    Density 1.013
    Boiling Point 151-153ºC
    Melting Point -80ºC
    Flash Point 46ºC
    Refractive Index 1.529-1.531
    Water Solubility 2 g/L (20 ºC)
    Stability Stable. Combustible. Incompatible with oxidizing agents, acids, water, alcohols, strong bases, amines. Darkens on aging.
    Storage Condition 2-8ºC

    Safety Info

    RTECS NX8225000
    Hazard Class 6.1
    Safety Statements S16-S24-S26-S28-S36/37/39-S45-S60-S61
    HS Code 29309070
    WGK Germany 3
    Packing Group II
    RIDADR UN 1545
    Risk Statements R10; R23/24/25; R36/37/38; R43; R50/53
    Hazard Codes T
    Hazard Declaration H301 + H331; H310; H315; H317; H319; H334; H410
    Symbol GHS06, GHS08, GHS09
    Caution Statement P261; P273; P280; P301 + P310; P302 + P350; P305 + P351 + P338
    Signal Word Danger

    Synthesis Route

    Cyanogen bromide solution+prop-2-enylsulfanylmethylbenzene→benzyl thiocyanate+benzyl bromide
    4-allyl-thioallophanonitrile→cyanamide+allyl isothiocyanate
    4-allyl-thioallophanonitrile+Water→cyanamide+allyl isothiocyanate

    GC Analysis

    Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
    Capillary DB-5 - 892. temperature ramp
    Capillary DB-1 - 846. temperature ramp
    Capillary DB-1 - 847. temperature ramp
    Capillary HP-5MS - 890. temperature ramp
    Capillary HP-5 - 887. custom temperature program

    Downstream Product

    1-[2,3-dihydroxy-4-(prop-2-enylcarbamothioylamino)butyl]-3-prop-2-enylthiourea
    potassium thiocyanate
    Diallyl sulfide
    2-(prop-2-enylcarbamothioylamino)-N-[2-[[2-(prop-2-enylcarbamothioylamino)acetyl]amino]ethyl]acetamide

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