English Safety Data Sheet Database 中文版 MSDS

tert-Butyl isocyanate

CAS No. 1609-86-5 | PubChem CID 62412
Section 1. Identification
Chemical Nametert-Butyl isocyanate CAS No.1609-86-5
Synonyms2-isocyanato-2-methyl-propane; tert-butylisocyanate Chinese Name异氰酸叔丁酯
Molecular FormulaCHgNO Molecular Weight99.1311
UN No.2484 Data SourcePubChem (NIH/NLM)
GHS Hazard Classification
Signal Word DANGER
Pictograms GHS02 · Flammable GHS05 · Corrosive GHS06 · Acute Toxic GHS07 · Irritant GHS08 · Health Hazard
Hazard Statements H225H301H302H314H317H318H330H334H335H412
Precautionary Statements P210P233P240P241P242P243P260P261P264P264+P265P270P271P272P273P280P284P301+P316P301+P317P301+P330+P331P302+P352P302+P361+P354P303+P361+P353P304+P340P305+P354+P338P316P317P319P320P321P330P333+P317P342+P316P362+P364P363P370+P378P403P403+P233P403+P235P405P501

Section 2. Hazards Identification

H225 (98.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

H301 (73.7%): Toxic if swallowed [Danger Acute toxicity, oral]

H302 (24.7%): Harmful if swallowed [Warning Acute toxicity, oral]

H314 (95.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

H317 (95.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H318 (55.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

H330 (99.5%): Fatal if inhaled [Danger Acute toxicity, inhalation]

H334 (24.2%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

H335 (98.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

H412 (19.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 194 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Section 4. First-Aid Measures

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. (ERG, 2024)

General First Aid:

· Call 911 or emergency medical service.

· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.

· Move victim to fresh air if it can be done safely.

· Administer oxygen if breathing is difficult.

· If victim is not breathing:

-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.

-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).

-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.

· Remove and isolate contaminated clothing and shoes.

· For minor skin contact, avoid spreading material on unaffected skin.

· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.

· For severe burns, immediate medical attention is required.

· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.

· Keep victim calm and warm.

· Keep victim under observation.

· For further assistance, contact your local Poison Control Center.

· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.

Specific First Aid:

· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required.

In Canada, an Emergency Response Assistance Plan (ERAP) may be required for this product. Please consult the shipping paper and/or the "ERAP" section.

Section 5. Fire-Fighting Measures

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

Note: Most foams will react with the material and release corrosive/toxic gases. CAUTION: For Acetyl chloride (UN1717), use CO2 or dry chemical only.

SMALL FIRE: CO2, dry chemical, dry sand, alcohol-resistant foam.

LARGE FIRE: Water spray, fog or alcohol-resistant foam. FOR CHLOROSILANES, DO NOT USE WATER; use alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Avoid aiming straight or solid streams directly onto the product.

FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)

Section 6. Accidental Release Measures

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Keep unauthorized personnel away.

· Stay upwind, uphill and/or upstream.

· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

· All equipment used when handling the product must be grounded.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

· Stop leak if you can do it without risk.

· A vapor-suppressing foam may be used to reduce vapors.

· FOR CHLOROSILANES, use alcohol-resistant foam to reduce vapors.

· DO NOT GET WATER on spilled substance or inside containers.

· Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material.

· Prevent entry into waterways, sewers, basements or confined areas.

Small Spill

· Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain.

· Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal.

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.

SPILL: See ERG Table 1 - Initial Isolation and Protective Action Distances on the UN/NA 2484 datasheet.

FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Immediate precautionary measure

· Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.

· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.

· For non-highlighted materials: increase the immediate precautionary measure distance, in the downwind direction, as necessary.

· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.

Small spill:

- ISOLATE in all directions: 60 m (200 ft)

Large spill:

- ISOLATE in all directions: 400 m (1250 ft)

- PROTECT people from downwind during DAY time: 0.8 km (0.5 mi)

- PROTECT people from downwind during NIGHT time: 1.8 km (1.2 mi)

- PROTECT people from downwind during DAY time: 4.7 km (3.0 mi)

- PROTECT people from downwind during NIGHT time: 7.0 km (4.4 mi)

Section 7. Handling and Storage

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. A vapor-suppressing foam may be used to reduce vapors. FOR CHLOROSILANES, use alcohol-resistant foam to reduce vapors. DO NOT GET WATER on spilled substance or inside containers. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Prevent entry into waterways, sewers, basements or confined areas.

SMALL SPILL: Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain. Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal. (ERG, 2024)

Section 8. Exposure Controls / Personal Protection

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.

· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

The compound is currently at the Holding Status AEGLs which have been reviewed by the NAC/AEGL Committee and are on hold due to insufficient data to develop AEGL values.

AEGLs Status: Holding

1.1 [mg/m3]

12 [mg/m3]

70 [mg/m3]

· Note: Most foams will react with the material and release corrosive/toxic gases.

CAUTION: For Acetyl chloride (UN1717), use CO2 or dry chemical only.

Small Fire

· CO2, dry chemical, dry sand, alcohol-resistant foam.

Large Fire

· Water spray, fog or alcohol-resistant foam.

· FOR CHLOROSILANES, DO NOT USE WATER; use alcohol-resistant foam.

· If it can be done safely, move undamaged containers away from the area around the fire.

· Avoid aiming straight or solid streams directly onto the product.

Fire Involving Tanks, Rail Tank Cars or Highway Tanks

· Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.

· Do not get water inside containers.

· Cool containers with flooding quantities of water until well after fire is out.

· Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.

· ALWAYS stay away from tanks in direct contact with flames.

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)

Section 9. Physical and Chemical Properties

Tert-butyl isocyanate appears as a clear colorless liquid with a pungent odor. Very toxic by ingestion, may also be toxic by skin absorption and inhalation. Vapors heavier than air. Less dense than water and insoluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.

Colorless liquid with a pungent odor; [CAMEO]

0.8670 @ 7°C

15N nuclear magnetic resonance spectrum

Schoenflies notation

Chemical bond

Chemical shift

Hindering potential

Internuclear distance

Lineshape

Molecular structure

Moment of inertia

Nuclear quadrupole coupling

Nuclear quadrupole moment

Optical coefficient

Point group

Reaction coordinate

Refractive index

Rotational excitation cross section

Spin-spin coupling constant

Toxic Gases & Vapors -> Monoisocyanates

Flammable agents - 3rd degree

Reactive agents - 1st degree

Section 10. Stability and Reactivity

Highly flammable. May react with water to produce a toxic vapor. Very slowly decomposed by water.

Isocyanates and Isothiocyanates

Highly Flammable

Water-Reactive

TERT-BUTYL ISOCYANATE can react exothermically with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizing agents, hydrides, phenols, and peroxides. May undergo polymerization with acids and bases. May react with water to form tert-butylamine and carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence [Wischmeyer 1969].

Section 11. Toxicological Information

Dermatotoxin - Skin burns.

Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Section 14. Transport Information

Poison Inhalation Hazard Flammable Liquid

Source: PubChem CID 62412 (NIH/NLM, public domain). Retrieved from PubChem, a public-domain chemistry database maintained by the U.S. National Library of Medicine. Last updated: 2026-08-02 10:07:57.
Disclaimer: This information is compiled for reference only and does not replace the manufacturer's official Safety Data Sheet. Always consult the supplier's SDS before handling any chemical.