English Safety Data Sheet Database 中文版 MSDS

Isophorone diisocyanate

CAS No. 4098-71-9 | PubChem CID 169132
Section 1. Identification
Chemical NameIsophorone diisocyanate CAS No.4098-71-9
Synonymsisobutyricacid,methyl ester; methyl isobutyrate Chinese Name异丁酸甲酯
Molecular FormulaC5H10O2 Molecular Weight102.1317
UN No.3272 Data SourcePubChem (NIH/NLM)
GHS Hazard Classification
Signal Word DANGER
Pictograms GHS05 · Corrosive GHS06 · Acute Toxic GHS07 · Irritant GHS08 · Health Hazard GHS09 · Environmental Hazard
Hazard Statements H315H317H319H331H334H335H411H330H314H318H370H372H402H412H302H312
Precautionary Statements P233P260P261P264P264+P265P271P272P273P280P284P302+P352P304+P340P305+P351+P338P316P319P321P332+P317P333+P317P337+P317P342+P316P362+P364P391P403P403+P233P405P501P320P270P301+P330+P331P302+P361+P354P305+P354+P338P308+P316P317P363P301+P317P330

Section 2. Hazards Identification

H315: Causes skin irritation [Warning Skin corrosion/irritation]

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H331: Toxic if inhaled [Danger Acute toxicity, inhalation]

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

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

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1039) of reports.

H315 (96.1%): Causes skin irritation [Warning Skin corrosion/irritation]

H317 (> 99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H319 (96.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H330 (38.8%): Fatal if inhaled [Danger Acute toxicity, inhalation]

H331 (63.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]

H334 (98.4%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

H335 (98.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

H411 (96.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1039 reports by companies from 35 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria per 1 of 1039 reports by companies.

There are 34 notifications provided by 1038 of 1039 reports by companies with hazard statement code(s).

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.

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

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

H330: Fatal if inhaled [Danger Acute toxicity, inhalation]

H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]

H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]

H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P319, P320, P321, P333+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

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

P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P319, P320, P321, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

H302: Harmful if swallowed [Warning Acute toxicity, oral]

H312: Harmful in contact with skin [Warning Acute toxicity, dermal]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Section 4. First-Aid Measures

Fresh air, rest. Half-upright position. Refer immediately for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

Signs and Symptoms of Isophorone Diisocyanate Exposure: Signs and symptoms of isophorone diisocyanate exposure include the following: itching skin, skin rashes, tearing of the eyes, inflammation of nasal mucous membrane, and respiratory irritation. Gastrointestinal irritation may also occur. Difficulty in breathing and skin rash may be observed upon re-exposure.

Emergency Life-Support Procedures: Acute exposure to isophorone diisocyanate may require decontamination and life support for the victims. Emergency personnel should wear protective clothing appropriate to the type and degree of contamination. Air-purifying or supplied-air respiratory equipment should also be worn, as necessary. Rescue vehicles should carry supplies such as plastic sheeting and disposable plastic bags to assist in preventing spread of contamination.

Inhalation Exposure:

1. Move victims to fresh air. Emergency personnel should avoid self-exposure to isophorone diisocyanate.

2. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. IMMEDIATELY begin administering 100% humidified oxygen to all victims. Monitor victims for respiratory distress. Warning: To prevent self-poisoning, avoid mouth-to-mouth breathing; use a forced-oxygen mask. Direct oral contact with isophorone diisocyanate contaminated persons or their gastric contents may result in self poisoning.

3. Obtain authorization and/or further instructions from the local hospital for administration of an antidote or performance of other invasive procedures.

4. Rush to a health care facility.

Dermal/Eye Exposure:

1. Remove victims from exposure. Emergency personnel should avoid self-exposure to isophorone diisocyanate.

3. Remove and isolate contaminated clothing as soon as possible.

4. If eye exposure has occurred, eyes must be flushed with lukewarm water for at least 15 minutes.

5. Wash exposed skin areas thoroughly with water.

6. Obtain authorization and/or further instructions from the local hospital for administration of an antidote or performance of other invasive procedures.

7. Rush to a health care facility.

Ingestion Exposure:

1. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. IMMEDIATELY begin administering 100% humidified oxygen to all victims. Monitor victims for respiratory distress. Warning: To prevent self-poisoning, avoid mouth-to-mouth breathing; use a forced-oxygen mask. Direct oral contact with isophorone diisocyanate contaminated persons or their gastric contents may result in self poisoning.

2. Obtain authorization and/or further instructions from the local hospital for administration of an antidote or performance of other invasive procedures.

3. DO NOT induce vomiting or attempt to neutralize!

4. Activated charcoal may be administered if victims are conscious and alert. Use 15 to 30 g (1/2 to 1 oz) for children, 50 to 100 g (1-3/4 to 3-1/2 oz) for adults, with 125 to 250 mL (1/2 to 1 cup) of water.

5. Give the victims water or milk: children up to 1 year old, 125 mL (4 oz or 1/2 cup); children 1 to 12 years old, 200 mL (6 oz or 3/4 cup); adults, 250 mL (8 oz or 1 cup). Water or milk should be given only if victims are conscious and alert.

6. Rush to a health care facility. (EPA, 1998)

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.

Section 5. Fire-Fighting Measures

Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Ventilate closed spaces before entering them. Wear positive pressure breathing apparatus and special protective clothing. Remove and isolate contaminated clothing at the site.

Small fires: dry chemical, carbon dioxide, water spray or foam. Large fires: water spray, fog or foam. Move container from fire area if you can do so without risk. Fight fire from maximum distance. Dike fire control water for later disposal; do not scatter the material. (EPA, 1998)

Use water spray, foam, powder, carbon dioxide.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.

Where there is a fire involving isocyanates, carbon dioxide or powder extinguishers must be employed. Firemen must be equipped with self-contained breathing apparatus. /Isocyanates/

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 156 [Substances - Toxic and/or Corrosive (Combustible / 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: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.

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.

Personal protection: chemical protection suit including self-contained breathing apparatus. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Treat remaining liquid with a mixture of ammonia (4-8%), detergent (2%), and water. Do NOT let this chemical enter the environment.

Decontamination of spilled isocyanates and disposal of isocyanate waste are best conducted by using aqueous ammonia (3-8% concentrated ammonia solution in 90-95% water with 0.2-5% liquid detergent) or aqueous sodium carbonate (5-10% sodium carbonate in 90-95% water and 0.2-5% liquid detergent). An alcoholic solution (50% ethanol, isopropyl alcohol, or butanol; 45% water; and 5% concentrated ammonia) may be preferred because of the low miscibility of isocyanates with water. /Isocyanates/

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. The completeness of the cleaning procedures should be considered before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at the end of shift, but should remain at employee's place of work for cleaning.

The worker should immediately wash the skin when it becomes contaminated.

Work clothing that becomes wet or significantly contaminated should be removed and replaced.

For more Preventive Measures (Complete) data for ISOPHORONE DIISOCYANATE (11 total), please visit the HSDB record page.

Section 7. Handling and Storage

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / 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)

Separated from bases, acids, alcohols, amines, amides, phenols, mercaptans and food and feedstuffs. Keep in a well-ventilated room. Well closed. Cool. Dry. Store in an area without drain or sewer access.

Isocyanates are transported in railroad tank cars, tank trucks, tanks in ships, containers, and drums. They are stored in steel tanks and processed in steel equipment. For long-term storage stainless steel is recommended. To avoid contamination by atmospheric moisture, a dry air or inert gas blanket is essential. /Isocyanates/

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.

0.005 [ppm], Ceiling = 0.01 ppm[German Research Foundation (DFG)]

0.18 [mg/m3]

1.2 [mg/m3]

5.4 [mg/m3]

0.005 ppm (0.045 mg/m³)

0.02 ppm (0.180 mg/m³)

TWA 0.005 ppm (0.045 mg/m3) ST 0.02 ppm (0.180 mg/m3) [skin]

none See Appendix G

See: IDLH INDEX

0.005 [ppm]

8 hr Time Weighted Avg (TWA) 0.005 ppm.

Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded.

0.005 ppm as TWA.

0.005 ppm [1985]

0.046 mg/m

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

CAUTION: For Acetyl bromide (UN1716), 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.

A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C on spraying.

The substance is corrosive to the skin. The substance is severely irritating to the eyes. The aerosol is irritating to the respiratory tract.

Repeated or prolonged contact may cause skin sensitization. Repeated or prolonged inhalation may cause asthma.

Excerpt from NIOSH Pocket Guide for Isophorone diisocyanate:

Skin: PREVENT SKIN CONTACT - Wear appropriate personal protective clothing to prevent skin contact.

Eyes: PREVENT EYE CONTACT - Wear appropriate eye protection to prevent eye contact.

Wash skin: WHEN CONTAMINATED - The worker should immediately wash the skin when it becomes contaminated.

Section 9. Physical and Chemical Properties

Isophorone diisocyanate appears as a clear to light-yellow liquid. Slightly denser than water and insoluble in water. Toxic by inhalation and skin absorption. Very irritating to skin. Used to make polyurethane coatings.

Colorless to slightly yellow liquid with a pungent odor; [NIOSH]

COLOURLESS-TO-YELLOW LIQUID WITH PUNGENT ODOUR.

Colorless to slightly yellow liquid with a pungent odor.

Colorless to slightly yellow liquid

316 °F at 10 mmHg (NTP, 1992)

BP: 158 °C at 10 torr

at 1.33kPa: 158 °C

360 °C @760 [mm Hg]

-76 °F (NTP, 1992)

Approximately -60 °C

greater than 200 °F (NTP, 1992)

155 °C, Closed cup

155 °C c.c.

less than 1 mg/mL at 77 °F (NTP, 1992)

Completely miscible with esters, ketones, ethers, and aromatic and aliphatic hydrocarbons.

Solubility in water, g/100ml: 15 (reaction)

Decomposes

1.056 to 1.062 at 68 °F (USCG, 1999)

Relative density (water = 1): 1.06

1.062 @ 20°C

0.0003 mmHg at 68 °F ; 0.0007 mmHg at 122 °F (NTP, 1992)

0.0003 [mmHg]

0.0003 torr at 20 °C

Vapor pressure, Pa at 20 °C: 0.04

0.0003 mmHg

0.00001 [mm Hg] @25 °C

4.75 (calculated)

When heated to decomposition it emits toxic fumes of /nitrogen oxides and hydrogen cyanide/.

Reactive agents - 1st degree

Industrial compound

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Plastics & Rubber -> Diisocyanates

Section 10. Stability and Reactivity

Insoluble in water. This chemical may be sensitive to moisture.

Isocyanates and Isothiocyanates

Water-Reactive

ISOPHORONE DIISOCYANATE reacts with all substances containing active hydrogen atoms such as water, alcohols, phenols, amines, mercaptans, amides, urethanes and ureas. (NTP, 1992)

Reacts with all substances containing active hydrogen atoms such as water, alcohols, phenols, amines, mercaptans, amides, urethanes, and ureas.

Water, alcohols, phenols, amines, mercaptans, amides, urethanes, ureas [Note: Reacts with water to form carbon dioxide.]

Section 11. Toxicological Information

IDENTIFICATION AND USE: Isophorone diisocyanate is a colorless to slightly yellow liquid with a pungent odor. It is completely miscible with esters, ketones, ethers, and aromatic and aliphatic hydrocarbons. This chemical is used in the production of polyurethanes with high stability; raw material for polyurethane paints, varnishes, and elastomers, industrial coating applications, electrostatic powder coatings, and one pack polyurethane enamels. HUMAN EXPOSURE AND TOXICITY: Human volunteers exposed to aerosol of isophorone diisocyanate exhibited irritation of the mucous membranes of the eyes and nose; as concentrations increased strong irritation of the mucous membranes of the eyes and breathing passages was observed. Strong mucous membrane irritation causes eye, pulmonary and gastrointestinal tract symptoms. Contact dermatitis, both irritant and allergic forms, have been observed in individuals exposed to isocyanates. Isocyanate induced asthma and sensitization will exhibit traditional symptoms of acute airway obstruction, coughing, wheezing, shortness of breath, tightness of the chest and nocturnal awakening. Asthma reactions may result. Isocyanate induced hypersensitivity pneumonitis symptoms are flu like including shortness of breath, nonproductive cough, fevers, chills, sweats, malaise and nausea. Irreversible decrease in pulmonary function and the development of interstitial fibrosis may result. Exposure to high doses of isocyanates may produce fatal pulmonary edema or catarrh. Occupational asthma has been associated with isophorone diisocyanate exposure in the workplace and may occur through inhalation and dermal contact with this compound at workplaces where isophorone diisocyanate is produced or used. Cross sensitivity can occur between isophorone diamine and isophorone diisocyanate which are chemically related in workers. ANIMAL STUDIES: Isophorone diisocyanate applied epicutaneously (non-occluded) to intact skin of guinea pigs showed contact skin sensitization evident at the initial challenge and negligible upon rechallenge. Rats exposed to isophorone diisocyanate by inhalation had nonspecific irritation, gasping vasodilation; brown staining of the fur of the snout and head, noisy respiration; loss of body weight and depression of food and water consumption on day of exposure; mild subpleural congestion. Isophorone diisocyanate induced significant contact dermatitis in female mice.

Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)

No indication of carcinogenicity to humans (not listed by IARC).

Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)

The substance can be absorbed into the body by inhalation of its aerosol and through the skin.

inhalation, skin absorption, ingestion, skin and/or eye contact

Oral (L96) ; inhalation (L96) ; dermal (L96)

Cough. Sore throat. Burning sensation.

Redness. Pain. Serious skin burns.

Redness. Pain.

Sore throat. Burning sensation. Abdominal pain.

irritation eyes, skin, respiratory system; chest tightness, dyspnea (breathing difficulty), cough, sore throat; bronchitis, wheezing, pulmonary edema; possible resp sensitization, asthma

Cyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97)

Eyes, skin, respiratory system

Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

Asthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.

LD50: 1060 mg/kg (Dermal, Rabbit) (T14)

LD50: >1000 mg/kg (Oral, Rat) (T20)

LC50: 123 mg/m3 over 4 hours (Inhalation, Rat) (T20)

LD50 Rat oral greater than 1000 mg/kg

LC50 Rat inhalation 123 mg/cu m/4 hr

LD50 Mice oral greater than 2500 mg/kg

LC50 Rat inhalation 33 mg/cu m/4 hr/day for 5 days

LD50 Rat skin 1060 mg/kg

Antidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Isocyanates, aliphatic thiocyanates, and related compounds/

Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Monitor for seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patent can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Isocyanates, aliphatic thiocyanates, and related compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Isocyanates, aliphatic thiocyanates, and related compounds/

Emergency and supportive measures: After acute high-intensity inhalation exposure, maintain on open airway, give bronchodilators as needed for wheezing, and observe for 8-12 hours for pulmonary edema. Once airway hyperactivity has been documented, further exposure to isocyanate is contraindicated. Involve public health or OSHA agencies to determine whether other workers are at increased risk through improper workplace controls. /Isocyanates/

For more Antidote and Emergency Treatment (Complete) data for ISOPHORONE DIISOCYANATE (6 total), please visit the HSDB record page.

/HUMAN EXPOSURE STUDIES/ /Human volunteers were exposed/ to aerosol isophorone diisocyanate for 1 to 5 minutes. Symptoms: 0.00025 mg/L just perceptible; 0.00064 mg/L slight irritation of the mucous membranes of the eyes and nose; 0.00137 mg/L strong irritation of the mucous membranes of the eyes and the breathing passages, intolerable.

/HUMAN EXPOSURE STUDIES/ ... Two workers who were allergic to isophorone diamine and two volunteers who had been sensitized to isophorone diamine were patch tested 1 month later with isophorone diisocyanate (1% in ethanol); the ... /patches/ were removed at 48 hours and read at 48 and 96 hours. They were strongly positive in the 4 patients. Five adult volunteers were patch tested with isophorone diisocyanate; none of the control subjects was positive. Cross-sensitivity can occur between isophorone diamine and isophorone diisocyanate which are chemically related but used in entirely different industrial processes.

/HUMAN EXPOSURE STUDIES/ An isocyanate generation apparatus was developed and stable isocyanate atmospheres were obtained. At a concentration of 5 ug 1,6-hexamethylene diisocyanate (HDI) per cu m the precision was found to be 7% (n = 5). Three volunteers were each exposed to three different concentrations of HDI (11.9, 20.5, and 22.1 ug/cu m) and three concentrations of isophorone diisocyanate (IPDI) (12.1, 17.7, and 50.7 ug/cu m), in an exposure chamber. The duration of the exposure was 2 hr. Urine and blood samples were collected, and hydrolysed under alkaline conditions to the HDI and IPDI corresponding amines, 1,6-hexamethylene diamine (HDA) and isophorone diamine (IPDA), determined as their pentafluoropropionic anhydride amides (HDA-PFPA and IPDA-PFPA). The HDA- and IPDA-PFPA derivatives were analysed using liquid chromatography mass spectrometry with thermospray monitoring negative ions. When working up samples from the exposed persons without hydrolysis, no HDA or IPDA was seen. The average urinary excretion of the corresponding amine was 39% for HDI and 27% for IPDI. An association between the estimated inhaled dose and the total excreted amount was seen. The average urinary elimination half-time for HDA was 2.5 hr and for IPDA, 2.8 hr. The hydrolysis condition giving the highest yield of HDA and IPDA in urine was found to be hydrolysis with 3 M sodium hydroxide during 4 hr. No HDA or IPDA could be found in hydrolysed plasma (< ca 0.1 ug/L).

/HUMAN EXPOSURE STUDIES/ Sera of six workers with conclusive evidence for IgE-mediated sensitization to isocyanates were used for evaluation of immunologic cross-reactivities among eight different isocyanate-protein conjugates. In all cases RAST and/or skin-test investigations revealed the presence of IgE antibodies reacting specifically with HSA conjugated with those isocyanates to which workers were exposed as well as with other isocyanates with which they had not been in contact. By the RAST inhibition technique, moderate to strong mutual cross-reactivities between all tested isocyanate-HSA conjugates--even between aromatic and aliphatic ones--could be demonstrated in tests with five sera. The magnitudes of cross-reactivities differed, however, from one patient to another. One serum contained IgE antibodies that were almost completely specific to TDI-HSA; with this serum only weak cross-reactivities with other isocyanate conjugates could be demonstrated. These results indicate the predominance of closely related antigenic determinants in HSA conjugated with different isocyanates. The common antibody-binding regions are obviously recognized to different extents by antibodies of clinically sensitized workers, indicating individual differences in specificities and avidities of antibody populations. Nearly complete lack of IgE binding of ovalbumin-bound TDI in RAST and RAST inhibition indicates carrier-specific antigenicity of isocyanate-protein conjugates. In addition, since unmodified HSA did not bind IgE, antigenic determinants of the conjugates studied should be predominantly formed by the isocyanate-protein bond regions and concurrently by neighboring amino acid residues of the HSA molecule. /Isocyanates/

For more Human Toxicity Excerpts (Complete) data for ISOPHORONE DIISOCYANATE (22 total), please visit the HSDB record page.

/LABORATORY ANIMALS: Acute Exposure/ Isophorone diisocyanate was applied epicutaneously (non-occluded) to the intact skin of guinea pigs. Challenge and rechallenge were performed 5 and 14 days after a single induction application. Contact sensitisation was evident at initial challenge (5 days post induction) and negligible upon rechallenge (14 days post induction).

/LABORATORY ANIMALS: Acute Exposure/ Skin and eye irritation in rabbits are considered moderate.

/LABORATORY ANIMALS: Acute Exposure/ Ten male and 10 female rats were exposed to /isophorone diisocyanate (purity > 99%)/ at the theoretical maximum vapor concentration of 0.4 ppm/ 0.004 mg/L for a single 8 hour exposure period followed by a 14 day post exposure observation period; there was no analytical determination of the exposure concentration. The clinical signs during exposure: mild, non specific irritation (ptyalism); gasping vasodilatation; brown staining of the fur of the snout and head (females worse than males). Clinical signs during observation period: noisy respiration during the first 2 days; loss of body weight and depression of food and water consumption on the day following exposure; microscopic pathology: mild subpleural congestion in 4/10 females.

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ The allergic contact hypersensitivity sensitizing potential of isophorone diisocyanate was studied in female B6C3F1 mice. The mice were sensitized with 0.1, 0.3, and 1.0% isophorone diisocyanate and challenged with 3.0% isophorone diisocyanate. Doses of isophorone diisocyanate were selected from assays for primary irritancy. Mice received 20 microliters by direct dermal application for 5 days to sites prepared by shaving, dermabrading, and in some cases, with intradermal injection of Freund's complete adjuvant (FCA). The rest period was 7 days. Measurement of contact hypersensitivity response in mice was by radioisotopic assay. The mice consistently demonstrated statistically significant allergic contact hypersensitivity response when sensitized with a concentration of 1% isophorone diisocyanate accompanied by site preparation with FCA. When FCA was omitted, treatment with the 1% concentration of isophorone diisocyanate resulted in higher hypersensitivity indexes than control.

For more Non-Human Toxicity Excerpts (Complete) data for ISOPHORONE DIISOCYANATE (7 total), please visit the HSDB record page.

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=4098-71-9]

... Isophorone diisocyanate ... was selected for evaluation as a sensitizing agent for contact hypersensitivity in mice. ... Primary irritancy studies indicated that 1.0% isophorone diisocyanate was the minimum irritating concentration and treatment with 3.0% isophorone diisocyanate resulted in an irritation response nearly twice as great as 1.0%. Female B6C3F1 mice were sensitized dermally to either 0, 0.1%, 0.3%, or 1.0% solutions of isophorone diisocyanate daily for 5 consecutive days and challenged 7 days later with a 3.0% solution. A 0.5% solution of 1-fluoro-2,4-dinitrobenzene ... was used as a positive control. Site preparation included dermabrasion as well as intradermal injection of Freund's complete adjuvant in some mice. Mice were divided into 10 treatment groups of 8 mice/group ... . The irritancy response was determined by monitoring the extravasation of 125I-bovine serum albumin into the treated area. The contact hypersensitivity response was determined by monitoring the infiltration of 125I-iododeoxyuridine labeled cells into the challenge site. ... There were no treatment-related effects on survival or body weights. Hypersensitivity responses as determined using the radioisotope procedure. A statistically significant hypersensitivity response was elicited in mice using a sensitizing concentration of 1.0% and a challenge concentration of 3.0%, with or without pretreatment with Freund's complete adjuvant ... . The positive control ... produced a statistically significant contact hypersensitivity response at a sensitizing and challenge concentration of 0.5% 1-fluoro-2,4-dinitrobenzene. ... Under these experimental conditions, a contact hypersensitivity response to isophorone diisocyanate was observed in mice whether or not the site of sensitization was prepared using Freund's complete adjuvant.

Section 12. Ecological Information

This substance may be hazardous to the environment. Special attention should be given to aquatic organisms.

Isophorone diisocyanate's production and use in the synthesis of polyurethanes may result in its release to the environment through various waste streams. If released to air, an extrapolated vapor pressure of 3.0X10-4 mm Hg at 20 °C indicates isophorone diisocyanate will exist solely as a vapor in the atmosphere. Vapor-phase isophorone diisocyanate will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 15 hours. Isophorone diisocyanate does not contain chromophores that absorb at wavelengths >290 nm, and therefore is not expected to be susceptible to direct photolysis by sunlight. Isocyanates hydrolyze rapidly in water; therefore, soil mobility, biodegradation, and volatilization of isophorone diisocyanate in moist soil are not expected to be important environmental fate processes. Isophorone diisocyanate may volatilize from dry soil surfaces based upon its vapor pressure. Since isocyanates hydrolyze rapidly in water, biodegradation, aquatic bioconcentration, volatilization, and adsorption to sediment of isophorone diisocyanate are not expected to be important environmental fate processes. Occupational exposure to isophorone diisocyanate may occur through inhalation and dermal contact with this compound at workplaces where isophorone diisocyanate is produced or used. (SRC)

Isophorone diisocyanate's production and use in the synthesis of polyurethanes(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Isocyanates hydrolyze rapidly in water(1); therefore, soil mobility, biodegradation, and volatilization of isophorone diisocyanate in moist soil are not expected to be important environmental fate processes(SRC). Volatilization of isophorone diisocyanate from dry soils is not expected based on a vapor pressure of 3.0X10-4 mm Hg at 20 °C(2).

AQUATIC FATE: Since isocyanates hydrolyze rapidly in water(1) biodegradation, aquatic bioconcentration, volatilization, and adsorption to sediment of isophorone diisocyanate are not expected to be important fate processes(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isophorone diisocyanate, which has a vapor pressure of 3.0X10-4 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isophorone diisocyanate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 15 hrs(SRC), calculated from its rate constant of 8.8X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Since isocyanates such as isophorone diisocyanate hydrolyze readily with water(4), atmospheric degradation may occur through contact with clouds, fog or rain(SRC). Isophorone diisocyanate does not contain chromophores that absorb at wavelengths >290 nm(5), and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Isocyanates hydrolyze readily in water to yield a carbamic acid, which decarboxylates to produce CO2 and an amine; the latter immediately reacts with more isocyanate to yield a disubstituted urea. The hydrolysis rate increases with electron-withdrawing substituents. Steric hindrance also influences hydrolysis rate; aliphatic isocyanate rates are: primary > secondary > tertiary(1). Isophorone diisocyanate does not contain chromophores that absorb at wavelengths >290 nm(2), and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Isocyanates, such as isophorone diisocyanate, are hydrolyzed rapidly by water(1), indicating that bioconcentration is not an important environmental fate process(SRC).

Isocyanates, such as isophorone diisocyanate, are hydrolyzed rapidly by water(1), indicating that adsorption is not an important environmental fate process(SRC).

Isocyanates, such as isophorone diisocyanate, are hydrolyzed rapidly by water(1), indicating that volatilization is not an important environmental fate process(SRC).

According to the 2006 TSCA Inventory Update Reporting data, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use of isophorone diisocyanate is 1000 or greater; the data may be greatly underestimated(1).

Occupational exposure to isophorone diisocyanate may occur through inhalation and dermal contact with this compound at workplaces where isophorone diisocyanate is produced or used. (SRC)

Section 13. Disposal Considerations

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

Section 14. Transport Information

/GUIDE 156: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible/Water-Sensitive)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. When heated, vapors may 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. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water.

/GUIDE 156: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible/Water-Sensitive)/ Health: TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Contact with molten substance may cause severe burns to skin and eyes. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

/GUIDE 156: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible/Water-Sensitive)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an 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. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.

/GUIDE 156: SUBSTANCES - TOXIC and/or CORROSIVE (Combustible/Water-Sensitive)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.

For more DOT Emergency Guidelines (Complete) data for ISOPHORONE DIISOCYANATE (8 total), please visit the HSDB record page.

UN 2290; Isophorone diisocyanate

IMO 6.1; Isophorone diisocyanate

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./

The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.

The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Airtight. Do not transport with food and feedstuffs.

Symbol: T, N; R: 23-36/37/38-42/43-51/53; S: (1/2)-26-28-38-45-61; Note: 2

UN Hazard Class: 6.1; UN Pack Group: III

Source: PubChem CID 169132 (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 10:07:43.
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.