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allyl isothiocyanate
CAS No.: 57-06-7
Synonyms:
Formula: C4H5NS
Exact Mass: 99.01430
Molecular Weight: 99.15420
PSA: 44.45000
LogP: 1.27520
Reference Price: $424/kg Inquiry Now
allyl isothiocyanate 57-06-7 MSDS
Name: Allyl isothiocyanate 94% Material Safety Data Sheet
Synonym: Isothiocyanic acid, allyl ester; Allyl isorhodanide; Allyl isosulfocyanate; Allyl isosulphocyanate; Allyl mustard oil; Allyl thiocarbonimide; Artificial mustard oil; Artificial oil of mustard; Carbospol; Isothiocyanate d'allyle; 3-Isothiocyana
CAS: 57-06-7
Section 1 - Chemical Product   MSDS Name:Allyl isothiocyanate 94% Material Safety Data Sheet
Synonym:Isothiocyanic acid, allyl ester; Allyl isorhodanide; Allyl isosulfocyanate; Allyl isosulphocyanate; Allyl mustard oil; Allyl thiocarbonimide; Artificial mustard oil; Artificial oil of mustard; Carbospol; Isothiocyanate d'allyle; 3-Isothiocyana

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
57-06-7 Allyl isothiocyanate 94 200-309-2
Hazard Symbols: T
Risk Phrases: 10 23/24/25 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Toxic by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.Moisture sensitive.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears).
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. This material is a vesicant, that is, it will induce blistering. Causes skin irritation and possible burns. Prolonged exposure may produce blisters.
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.
Chronic:
May cause reproductive and fetal effects. Laboratory experiments have resulted in mutagenic effects.

Section 4 - FIRST AID MEASURES
  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 eyes or keep eyes closed.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
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 and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively. Effects may be delayed.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. 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. Flammable liquid and vapor.
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.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. 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.

Section 7 - HANDLING and STORAGE
  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. Keep away from 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.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Store protected from moisture.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use explosion-proof ventilation equipment. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use only under a chemical fume hood.
Exposure Limits CAS# 57-06-7: Personal Protective Equipment 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 respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear colorless to pale yellow
Odor: mustard-like - pungent odor
pH: Not available.
Vapor Pressure: 4 mm Hg @ 20 C
Viscosity: Not available.
Boiling Point: 150 deg C @ 760.00mm Hg
Freezing/Melting Point: -80 deg C
Autoignition Temperature: Not applicable.
Flash Point: 46 deg C ( 114.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 250 deg C
Solubility in water: Slightly soluble.
Specific Gravity/Density: 1.0150g/cm3
Molecular Formula: H2C=CHCH2NCS
Molecular Weight: 99.15

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Moisture sensitive.
Conditions to Avoid:
Incompatible materials, ignition sources, moisture, excess heat.
Incompatibilities with Other Materials:
Moisture, amines, acids, strong oxidizing agents, strong bases, alcohols.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 57-06-7: NX8225000 LD50/LC50:
CAS# 57-06-7: Draize test, rabbit, eye: 2 mg; Oral, mouse: LD50 = 308 mg/kg; Oral, rat: LD50 = 112 mg/kg; Skin, rabbit: LD50 = 88 mg/kg.
Carcinogenicity:
Allyl isothiocyanate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Bacteria: Phytobacterium phosphoreum: EC50 = 0.099-0.11 mg/L; 5,15,30 min; Microtox test at 15CFish: Fathead Minnow: LC50 = 0.0856 mg/L; Unspecified; Flow-through at 25.1C (pH 7.8)

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: ALLYL ISOTHIOCYANATE, INHIBITED
Hazard Class: 6.1 (3)
UN Number: 1545
Packing Group: II
IMO
Shipping Name: ALLYL ISOTHIOCYANATE, STABILIZED
Hazard Class: 6.1 (3)
UN Number: 1545
Packing Group: II
RID/ADR
Shipping Name: ALLYL ISOTHIOCYANATE, INHIBITED
Hazard Class: 6.1
UN Number: 1545
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 10 Flammable.
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28B After contact with skin, wash immediately with
plenty of water and soap.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 57-06-7: No information available.
Canada
CAS# 57-06-7 is listed on Canada's DSL List.
CAS# 57-06-7 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 57-06-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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