Allyl isothiocyanate

  • 3-Isothiocyanato-1-propene
  • Allyl Isosulfocyanate
  • 2-Propenyl isothiocyanate
Formula
CH2=CHCH2NCS
Structure
Description
Poisonous by ingestion and skin absorption.
Uses
Flavoring agent, denaturant for alcohol.

Registry Numbers and Inventories.
CAS
57-06-7
EC (EINECS/ELINCS)
200-309-2
EC Class
flammable, toxic, irritant, dangerous for the environment
R 10 23/24/25 36/37/38 42/43 50/53
S 23 26 36/37/39 45 60 61
RTECS
NX8225000
RTECS class
Agricultural Chemical and Pesticide; Tumorigen; Mutagen; Reproductive Effector; Primary Irritant
UN (DOT)
1545
Merck
13,292
Beilstein/Gmelin
773748
Beilstein Reference
4-04-00-01081
EPA OPP
4901
Swiss Giftliste 1
G-1068
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed

Properties.
Formula
C4H5NS
Formula mass
99.16
Melting point, °C
-80
Boiling point, °C
148
Vapor pressure, mmHg
4.6 (25 C)
Vapor density (air=1)
3.41
Odor Threshold Odor threshold 8 ppb
Density
1.036 g/cm3 (0 C)
Solubility in water
Slightly soluble
Viscosity
0.67 cp (25 C)
Refractive index
1.5273 (15 C)
Partition coefficient, pKow
1.77
Heat of vaporization
37.3 kJ/mol
Heat of combustion
-3061 kJ/mol

Hazards and Protection.
Storage
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep refrigerated. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Store protected from moisture.
Handling
Remove contaminated clothing and wash before reuse. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Contents may develop pressure upon prolonged storage. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Do not ingest or inhale. Do not allow contact with water. Use only in a chemical fume hood. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep from contact with moist air and steam.
Protection
Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure.
Respirators
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant a respirator's use.
Small spills/leaks
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Clean up spills immediately, using the appropriate protective equipment. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. Do not get water inside containers. A vapor suppressing foam may be used to reduce vapors.
Disposal code
9
Stability
Stable under normal temperatures and pressures. Moisture sensitive.
Incompatibilities
Moisture, amines, acids, strong oxidizing agents, strong bases, alcohols.
Decomposition
Hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.

Fire.
Flash Point,°C
36
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Extinguishing media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT get water inside containers. Do NOT use straight streams of water.
Fire potential
HIGHLY FLAMMABLE.
Hazards
Vapors form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.
Combustion products
Fire will produce irritating, corrosive and/or toxic gases.
Health
3
 
Flammability
2
 
 
Reactivity
1
 

Health.
Exposure limit(s)
OEL-RUSSIA:TWA 0.3 mg/m3;STEL 0.6 mg/m3
Poison_Class
2
Exposure effects
May cause reproductive and fetal effects. Laboratory experiments have resulted in mutagenic effects.
   Ingestion
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Effects may be delayed.
   Inhalation
Causes respiratory tract irritation. May cause asthmatic attacks due to allergic sensitization of the respiratory tract. Vapors may cause dizziness or suffocation.
   Skin
May be fatal if absorbed through the skin. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material. Vesicant. Causes skin irritation and possible burns. Prolonged exposure may produce blisters.
   Eyes
Causes eye irritation. Lachrymator.

First aid
 
   Ingestion
Do NOT induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
   Inhalation
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
   Skin
Get medical aid immediately. Immediately flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
   Eyes
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Do NOT allow victim to rub or keep eyes closed.

Transport.
UN number
1545
Response guide
Hazard class
6.1
Packing Group
II
 
HS Code
2930 90 70
 
Std. Transport #
4921001