Cyclohexyl isocyanate

125.17

125.17

507983

221-639-3

T699595BLW

0856

87419

2488

DTXSID8025464

Oil

29291090

29.4

3.06 (est)

Clear colorless to light amber Liquid

0.98 g/cm³

-80 °C

168 °C

120 °F

1.523

Decomposes in water

Flammables area

1.83 psi ( 20 °C)

Relative vapour density (air = 1): 4.3

Abdominal cavity-mouse LD50: 13 mg/kg

Flammable; burning produces toxic nitrogen oxide gas

Above 48 deg C explosive vapor/air mixtures may be formed.

Henry's Law constant = 1.69X10-3 atm-cu m/mol at 25 °C (est)

Colorless liquids or low-melting solids /Organic isocyanates/|Hydroxyl radical reaction rate constant = 1.0X10-11 cu cm/molec-sec at 25 °C (est)

Flammable. Insoluble in water. Reacts slowly with water to form the amine and CO2.

Isocyanates and Isothiocyanates

Highly Flammable

Isocyanates and thioisocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate 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].

The vapour is heavier than air and may travel along the ground; distant ignition possible.

I

6.1

UN 2488 6.1/PG 1

2

10-21/22-26-36/37/38-42-50-34

26-28-36/37-45-57-36/37/39-29-28A-23-16

NQ8650000

T+,N

Treasury is ventilated, low temperature and dry; stored and transported separately from oxidants, acids and food

Steam and air can be explosive when mixed

Stability Flammable. Incompatible with water, strong oxidizing agents, alcohols, strong bases, amines, acids, copper alloys, aluminium. May polymerize if exposed to moisture.

P260-P280-P284-P305 + P351 + P338-P310

H226-H302 + H312-H315-H317-H319-H330-H334-H335

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.

Reacts with oxidants, strong bases, water, alcohol, acids and amines.

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. 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. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. 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. (ERG, 2016)|Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 48 °C explosive vapour/air mixtures may be formed.|Flammable - 2nd degree, Reactive - 1st degree

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P284, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 89 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: 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. SPILL: See ERG Table 1 - Initial Isolation and Protective Action Distances on the UN/NA 2488 datasheet. FIRE: If tank, rail car or tank truck 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, 2016)

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in 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 AFFF alcohol-resistant medium-expansion 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, 2016)

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. 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. (ERG, 2016)|Personnel protection: Wear positive pressure self-contained breathing apparatus. Wear appropriate chemical protective clothing.|Above 48 °C use a closed system, ventilation and explosion-proof electrical equipment. Prevent build-up of electrostatic charges (e.g., by grounding).|Use ventilation, local exhaust or breathing protection.|Protective gloves. Protective clothing. ... Wear face shield or eye protection in combination with breathing protection.

Above 48 °C explosive vapor/air mixtures may be formed.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources.|Evacuation: If fire becomes uncontrollable or container is exposed to direct flame, consider evacuation of one-third (1/3) mile radius.|Use foam, alcohol-resistant foam, powder, carbon dioxide, dry sand.|No direct contact with water. Combat fire from a sheltered position.

The vapor is heavier than air and may travel along the ground; distant ignition possible.

Consult an expert! Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do not wash away into sewer. Personal protection: complete protective clothing including self-contained breathing apparatus.

Evacuation: If material leaking (not on fire) consider evacuation from downwind area based on amount material spilled. location and weather conditions.|Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. Do not handle broken packages unless wearing appropriate personal protective equipment.|If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.|Do not eat, drink, or smoke during work.

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.

Exposure to isocyanates is irritating to the skin, mucous membranes, eyes, and respiratory tract. /Isocyanates/

Consult an expert! Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer. Personal protection: complete protective clothing including self-contained breathing apparatus.

Fireproof. Separated from strong oxidants, strong bases, strong acids and food and feedstuffs. Dry. Keep in a well-ventilated room.

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

Lachrymation. The substance is irritating to the eyes, skin and respiratory tract.

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

NO open flames, NO sparks and NO smoking. Above 48 °C use a closed system, ventilation and explosion-proof electrical equipment. Prevent build-up of electrostatic charges (e.g., by grounding).

AVOID ALL CONTACT! IN ALL CASES CONSULT A DOCTOR!

Use ventilation, local exhaust or breathing protection.

Protective gloves. Protective clothing.

Wear face shield or eye protection in combination with breathing protection.

Cyclohexylisocyanate was detected at concentrations of 169 and 547 ug/L in 2 leachate samples from a landfill in Lombardy, Italy which receives industrial waste from sources that include metallurgy and sludge. The limit of detection was 17.14 ng/L(1).

highly toxic

LD50 Rat oral 560 mg/kg bw|LD50 Rat (male) oral 335 mg/kg bw|LD50 Rat (female) oral 625 mg/kg bw|LD50 Mouse intravenous 18 mg/kg|LD50 Mouse intraperitoneal 13 mg/kg

Cyclohexylisocyanate's production and use as a chemical intermediate in the production of agricultural and pharmaceutical chemicals(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 800(SRC), determined from a structure estimation method(2), indicates that cyclohexylisocyanate is expected to have low mobility in soil(SRC). Volatilization of cyclohexylisocyanate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.7X10-3 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Cyclohexylisocyanate is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.02 mm Hg at 25 °C(4). Biodegradation data in soil were not available(SRC, 2012).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 800(SRC), determined from a structure estimation method(2), indicates that cyclohexylisocyanate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.7X10-3 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 4 hours and 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 50(SRC), from an estimated log Kow of 3.06(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Isocyanates hydrolyze readily in water to yield a carbamic acid; therefore, hydrolysis of cyclohexylisocyanate is expected to be an important environmental fate process(8). However, the rapid hydrolysis of cyclohexylisocyanated precludes adsorption to solids and sediment, volatilization and bioconcentration(SRC). Biodegradation data in water were not available(SRC, 2012).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), cyclohexylisocyanate, which has a vapor pressure of 1.02 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase cyclohexylisocyanate 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 13 hours(SRC), calculated from its rate constant of 1.0X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Cyclohexylisocyanate does not contain chromophores that absorb at wavelengths >290 nm(4), and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of cyclohexylisocyanate with photochemically-produced hydroxyl radicals has been estimated as 1.0X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 13 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Isocyanates hydrolyze readily in water to yield a carbamic acid; therefore, hydrolysis of cyclohexylisocyanate is expected to be an important environmental fate process(2). Cyclohexylisocyanate does not contain chromophores that absorb at wavelengths >290 nm(3), and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 50 was calculated in fish for cyclohexylisocyanate(SRC), using an estimated log Kow of 3.06(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). However, the rapid hydrolysis of cyclohexylisocyanated precludes bioconcentration(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of cyclohexylisocyanate can be estimated to be 800(SRC). According to a classification scheme(2), this estimated Koc value suggests that cyclohexylisocyanate is expected to have low mobility in soil.

The Henry's Law constant for cyclohexylisocyanate is estimated as 1.7X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that cyclohexylisocyanate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). Cyclohexylisocyanate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Cyclohexylisocyanate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.02 mm Hg(3). However, the rapid hydrolysis of cyclohexylisocyanated precludes volatilization(SRC).

GROUNDWATER: Cyclohexylisocyanate concentrations of 3901, 195, 2808, and 132,300 ug/L were reported in 4 wells downstream from a landfill in Lombardy, Italy which receives industrial waste from sources that include metallurgy operations and sludge. Concentrations in 4 upstream wells were 39 ng/L and not detected in the remaining 3 wells studies. The limit of detection was 17.14 ng/L(1).|DRINKING WATER: Cyclohexylisocyanate was detected not quantified in three of 14 United Kingdom drinking water samples. The drinking water sources were groundwater, sand upland reservoir, and a river sampled on Feb 2, 1979, March 3, 1979 and April 24, 1979, respectively(1).

Occupational exposure to cyclohexylisocyanate may occur through inhalation and dermal contact with this compound at workplaces where cyclohexylisocyanate is produced or used. Limited monitoring data indicate that the general population may be exposed to cyclohexylisocyanate via ingestion of and dermal contact with contaminated water. (SRC)

... Preincubation of BCNU, CCNU, and methyl-CCNU with calmodulin produced a concentration-dependent inhibition of in vitro calmodulin activity expressed as stimulation of cyclic nucleotide phosphodiesterase. Cyclohexylisocyanate produced a similar inhibition. ...

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators. 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. (ERG, 2016)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention . Wear protective gloves when administering first aid.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

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 ... . Treat exposure to Lethane 60 Lethane 384, Thanite, methyl, ethyl, or isopropyl thiocyanates with the cyanide antidote kit. ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Isocyanates, aliphatic thiocyanates, and related compounds/

/SIGNS AND SYMPTOMS/ A worker suspected of having isocyanate-induced asthma/sensitization will exhibit the traditional symptoms of acute airway obstruction, e.g., coughing, wheezing, shortness of breath, tightness in the chest, and nocturnal awakening. An isocyanate-exposed worker may first develop an asthmatic condition (i.e., become sensitized) after a single (acute) exposure, but sensitization usually takes a few months to several years of exposure. The asthmatic reaction may occur minutes after exposure (immediate), several hours after exposure (late), or a combination of both immediate and late components after exposure (dual). The late asthmatic reaction is the most common, occurring in approximately 40% of isocyanate sensitized workers. After sensitization, any exposure, even to levels below an occupational exposure limit or standard, can produce an asthmatic response that may be life threatening. Experience with isocyanates has shown that monomeric, prepolymeric and polyisocyanate species are capable of producing respiratory sensitization in exposed workers. /Isocyanates/|/SIGNS AND SYMPTOMS/ Exposure to isocyanates is irritating to the skin, mucous membranes, eyes, and respiratory tract. The most common adverse health outcome associated with isocyanate exposure is asthma due to sensitization; less prevalent are contact dermatitis (both irritant and allergic forms) and hypersensitivity pneumonitis (HP). Contact dermatitis can result in symptoms such as rash, itching, hives, and swelling of the extremities. /Isocyanates/|/SIGNS AND SYMPTOMS/ The initial symptoms associated with isocyanate-induced hypersensitivity pneumonitis (HP) are flu-like, including shortness of breath, nonproductive cough, fever, chills, sweats, malaise, and nausea. After the onset of HP, prolonged and/or repeated exposures may lead to an irreversible decline in pulmonary function and lung compliance and to the development of diffuse interstitial fibrosis. Early diagnosis is difficult since many aspects of HP, i.e., the flu-like symptoms and the changes in pulmonary function, are manifestations common to many other respiratory diseases and conditions. /Isocyanates/

cyclohexylisocyanate

The substance can be absorbed into the body by inhalation and by ingestion.

Burning sensation. Cough. Headache. Laboured breathing. Shortness of breath. Sore throat. Symptoms may be delayed.

Redness.

Watering of the eyes. Redness. Pain. Blurred vision. Severe deep burns.

Pesticide, fertilizer, and other agricultural chemical manufacturing|Cyclohexane, isocyanato-: ACTIVE

Fire Hazards -> Flammable - 2nd degree, Reactive - 1st degree