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Allyl isothiocyanate(CAS#57-06-7)

Chemical Property:

Molecular Formula C4H5NS
Molar Mass 99.1542
Density 0.91g/cm3
Melting Point -80℃
Boiling point 151.9°C at 760 mmHg
Flash Point 36.3°C
Water Solubility 2 g/L (20℃)
Vapor Presure 4.57mmHg at 25°C
Refractive Index 1.484
Physical and Chemical Properties Colorless to pale yellow oily liquid. There is an irritating smell of mustard seeds. Can make the skin blistering, harmful to the lungs! Density 1.0126. Boiling point 152 °c. Slightly soluble in water. Soluble in ethanol, ether and carbon disulfide. When dissolved in ethanol, it can react and deteriorate.
Use For the preparation of food additives, pharmaceuticals, pesticides, fungicides

Product Detail

Product Tags

Hazard Symbols T - ToxicN - Dangerous for the environment
Risk Codes R10 - Flammable
R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R36/37/38 - Irritating to eyes, respiratory system and skin.
R43 - May cause sensitization by skin contact
R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Description S16 - Keep away from sources of ignition.
S24 - Avoid contact with skin.
S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S60 - This material and its container must be disposed of as hazardous waste.
S61 - Avoid release to the environment. Refer to special instructions / safety data sheets.
UN IDs UN 1545

Allyl isothiocyanate (AITC, CAS 57-06-7), also known as mustard oil, is a colorless to pale yellow liquid with a pungent, characteristic mustard taste and odor (FEMA 2034). It is widely utilized as a flavoring agent in condiments, sauces, pickles, baked goods, meat products, and beverages to impart a sharp, spicy, horseradish-like note. Due to its potent antimicrobial activity against bacteria, fungi, and viruses, AITC serves as an effective natural preservative, extending the shelf life of food products by inhibiting spoilage organisms. In agriculture, it acts as a biopesticide, soil fumigant, and nematocide for crop protection. In pharmaceutical research, AITC is used as a rubefacient (counterirritant) in topical ointments and plasters, and is studied for its anticancer, anti-inflammatory, and antimicrobial properties. It also serves as a versatile chemical intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals, and as a crosslinking agent in the rubber and polymer industry. Xinchem offers high-purity Allyl isothiocyanate with flexible custom synthesis, custom chemical synthesis, and reliable contract manufacturing, scaled from R&D to commercial tons. Contact us for a competitive quote and global supply.


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