tert-Butyl isothiocyanate

  • 2-Isothiocyanato-2-methylpropane
Formula
C5H9NS
Structure
Description
Colorless liquid.

Registry Numbers and Inventories.
CAS
590-42-1
EC (EINECS/ELINCS)
209-682-6
R 10 23/24/25 36/37/38
S 26 36/37/39 45
UN (DOT)
3080
Beilstein/Gmelin
1361854
Beilstein Reference
4-04-00-00669
Canada DSL/NDSL
NDSL
US TSCA
Listed

Properties.
Formula
C5H9NS
Formula mass
115.19
Melting point, °C
10.5
Boiling point, °C
140 - 143
Vapor pressure, mmHg
7 (25 C)
Vapor density (air=1)
3.97
Density
0.9187 g/cm3 (10 C)
Solubility in water
Slightly soluble
Refractive index
1.48 (20 C)
Partition coefficient, pKow
2.17
Heat of vaporization
36.3 kJ/mol

Hazards and Protection.
Storage
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Store protected from moisture.
Handling
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Do not allow contact with water. Keep from contact with moist air and steam.
Protection
Eyes: Wear chemical goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin.
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
Clean up spills immediately, using the appropriate protective equipment. Provide ventilation. Do not get water inside containers.
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Strong oxidizing agents, acids, strong bases, alcohols, amines, heat, moisture.
Decomposition
Nitrogen oxides, oxides of sulfur, irritating and toxic fumes and gases.

Fire.
Flash Point,°C
38
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. Extinguishing media: Use agent most appropriate to extinguish fire. Do NOT get water inside containers.
Fire potential
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
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.
Combustion products
Fire will produce irritating, corrosive and/or toxic gases.
Health
1
 
Flammability
2
 
 
Reactivity
0
 

Health.
Exposure effects
Prolonged or repeated exposure may cause nausea, dizziness, and headache. Repeated contact may result in skin burns. Prolonged contact may cause severe eye irritation or burns. Prolonged or repeated exposure may cause lung irritation, chest pain, and pulmonary edema.
   Ingestion
Harmful if swallowed. Causes severe digestive tract burns with abdominal pain, vomiting, and possible death.
   Inhalation
Harmful if inhaled. Causes severe respiratory tract irritation. Inhalation of high concentrations may cause pulmonary edema.
   Skin
Causes severe skin irritation. Harmful if absorbed through the skin.
   Eyes
Causes severe eye irritation. Lachrymator.

First aid
 
   Ingestion
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
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
   Skin
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
   Eyes
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub or keep eyes closed.

Transport.
UN number
3080
Response guide
Hazard class
6.1
Packing Group
II