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Allyl isothiocyanate
Allyl isothiocyanate
- CAS:
- 57-06-7
- MF:
- C4H5NS
- MW:
- 99.15
Properties
- Melting point:
- -80 °C
- Boiling point:
- 151 °C
- Density
- 1.013 g/mL at 25 °C(lit.)
- refractive index
- n
20/D 1.529(lit.)
- Flash point:
- 115 °F
- storage temp.
- 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Fine Crystalline Powder
- color
- White
- Odor
- at 0.01 % in propylene glycol. strong pungent mustard
- Odor Type
- sulfurous
- Water Solubility
- 2 g/L (20 ºC)
- Sensitive
- Moisture Sensitive
- Merck
- 14,295
- JECFA Number
- 1560
- BRN
- 773748
- Dielectric constant
- 17.199999999999999
- Stability:
- Stable. Combustible. Incompatible with oxidizing agents, acids, water, alcohols, strong bases, amines. Darkens on aging.
- LogP
- 2.15
Safety Information
- Symbol(GHS)
GHS02,GHS05,GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- H226-H302-H310+H330-H314-H317-H410
- Precautionary statements
- P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- Hazard Codes
- T,N
- Risk Statements
- 10-24/25-36/37/38-42/43-50/53-43-23/24/25-34-25
- Safety Statements
- 26-36/37-45-60-61-36/37/39-28B-24-16-23-7/8
- RIDADR
- UN 1545 6.1/PG 2
- WGK Germany
- 3
- RTECS
- NX8225000
- TSCA
- Yes
- HazardClass
- 6.1
- PackingGroup
- II
- HS Code
- 29309070
- Toxicity
- LD50 orally in rats: 339 mg/kg (Jenner)
Use
Allyl Isothiocyanate is the main component of mustard oil (>95%). It is a colorless oil with a typical mustard odor and can be prepared by reacting allyl chloride with alkaline-earth or alkali rhodanides.
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