Home > Allyl isothiocyanate > Allyl isothiocyanate(57-06-7)
Allyl isothiocyanate(57-06-7)
Product Identification
Physical and Chemical Properties
First Aid Measures
Handling and Storage
Hazards Identification
Exposure Controls/Personal Protection
Fire Fighting Measures
Accidental Release Measures
Stability and Reactivity
Transport Information
Product Identification
Product Name
Allyl isothiocyanate
Allyl isothiocyanate
Synonyms
2-Propenyl isothiocyanate
3-Isothiocyanato-1-propene
3-Isothiocyanatoprop-1-ene
Allyl Isosulfocyanate
Allylsenevol
2-Propenyl isothiocyanate
3-Isothiocyanato-1-propene
3-Isothiocyanatoprop-1-ene
Allyl Isosulfocyanate
Allylsenevol
CAS
57-06-7
57-06-7
Formula
C4H5NS
C4H5NS
Molecular Weight
99.16
99.16
EINECS
200-309-2
200-309-2
RTECS
NX8225000
NX8225000
RTECS Class
Agricultural Chemical and Pesticide; Tumorigen; Mutagen; Reproductive Effector; Primary Irritant
Agricultural Chemical and Pesticide; Tumorigen; Mutagen; Reproductive Effector; Primary Irritant
Merck
13,292
13,292
Beilstein/Gmelin
773748
773748
Beilstein Reference
4-04-00-01081
4-04-00-01081
EC Class
flammable, toxic, irritant, dangerous for the environment
flammable, toxic, irritant, dangerous for the environment
Physical and Chemical Properties
Appearance
Poisonous by ingestion and skin absorption.
Poisonous by ingestion and skin absorption.
Solubility in water
Slightly soluble
Slightly soluble
Melting Point
-80
-80
Boiling Point
148
148
Vapor Pressure
4.6 (25 C)
4.6 (25 C)
Density
1.036 g/cm3 (0 C)
1.036 g/cm3 (0 C)
Partition Coefficient
1.77
1.77
Heat Of Vaporization
37.3 kJ/mol
37.3 kJ/mol
Heat Of Combustion
-3061 kJ/mol
-3061 kJ/mol
Usage
Flavoring agent, denaturant for alcohol.
Flavoring agent, denaturant for alcohol.
Vapor Density
3.41
3.41
Odor threshold
8 ppb
8 ppb
Refractive Index
1.5273 (15 C)
1.5273 (15 C)
First Aid Measures
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.
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.
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.
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.
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.
Handling and Storage
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.
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.
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.
Hazards Identification
Inhalation
Causes respiratory tract irritation. May cause asthmatic attacks due to allergic sensitization of the respiratory tract. Vapors may cause dizziness or suffocation.
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.
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.
Causes eye irritation. Lachrymator.
Ingestion
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Effects may be delayed.
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Effects may be delayed.
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.
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.
EC Risk Phrase
R 10 23/24/25 36/37/38 42/43 50/53
R 10 23/24/25 36/37/38 42/43 50/53
EC Safety Phrase
S 23 26 36/37/39 45 60 61
S 23 26 36/37/39 45 60 61
UN (DOT)
1545
1545
Exposure Controls/Personal Protection
Personal 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.
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.
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.
Exposure Effects
May cause reproductive and fetal effects. Laboratory experiments have resulted in mutagenic effects.
May cause reproductive and fetal effects. Laboratory experiments have resulted in mutagenic effects.
Exposure limit(s)
OEL-RUSSIA:TWA 0.3 mg/m3;STEL 0.6 mg/m3
OEL-RUSSIA:TWA 0.3 mg/m3;STEL 0.6 mg/m3
Poison Class
2
2
Fire Fighting Measures
Flash Point
36
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.
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.
HIGHLY FLAMMABLE.
Accidental Release Measures
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.
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.
Stability and Reactivity
Disposal Code
9
9
Incompatibilities
Moisture, amines, acids, strong oxidizing agents, strong bases, alcohols.
Moisture, amines, acids, strong oxidizing agents, strong bases, alcohols.
Stability
Stable under normal temperatures and pressures. Moisture sensitive.
Stable under normal temperatures and pressures. Moisture sensitive.
Decomposition
Hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Combustion Products
Fire will produce irritating, corrosive and/or toxic gases.
Fire will produce irritating, corrosive and/or toxic gases.
Transport Information
UN Number
1545
1545
Hazard Class
6.1
6.1
Packing Group
II
II
HS Code
2930 90 70
2930 90 70