Product Identification

Product Name

3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate

Synonyms

1,1,5,5-Tetramethylcyclohexane-a-1,3-diisocyanate
3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
5-Isocyanato-1-isocyanatomethyl-1,3,3-trimethylcoclohexane

CAS

4098-71-9

Formula

C12H18N2O2

Molecular Weight

222.29

EINECS

223-861-6

RTECS

NQ9370000

RTECS Class

Reproductive Effector

Beilstein/Gmelin

2726467

Beilstein Reference

6-13

EC Index Number

615-008-00-5

EC Class

Toxic; Irritant; Sensitising; Dangerous for the Environment

Physical and Chemical Properties

Appearance

Colorless to slightly yellow liquid with a pungent odor.

Solubility in water

Reacts

Melting Point

-60

Boiling Point

158

Vapor Pressure

.0003

Density

1.049 g/cm3 (20 C)

Usage

Yields polyurethanes with high stability, resistance to light discoloration, and chemical resistance.

Saturation Concentration

0.40-0.53 ppm at 20 C (calculated)

Refractive Index

1.482 (25 C)

First Aid Measures

Ingestion

Do not induce vomiting - consider after ingestion of a potentially life-threatening amount of poison if it can be performed soon after ingestion (generally within 1 hour). Activated charcoal: administer charcoal as a slurry (240 ml water/30 g charcoal). Usual dose: 25 to 100 g in adults/adolescents. Observe patients with ingestion carefully for the possible development of esophageal or gastrointestinal tract irritation or burns. If signs or symptoms of esophageal irritation or burns are present, consider endoscopy to determine the extent of injury.

Inhalation

Move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with beta2 agonist and corticosteroid aerosols.

Skin

Remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician should examine the area if irritation or pain persists. Systemic antihistamine or corticosteroid therapy may be required for hypersensitivity reactions.

Eyes

Irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes. If irritation, pain, swelling, lacrimation, or photophobia persist, the patient should be seen in a health care facility. As severe ocular injury may occur with direct eye contact, consider early ophthalmologic consultation.

Handling and Storage

Storage

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

Handling

All chemicals should be considered hazardous. Avoid direct physical contact. Use appropriate, approved safety equipment. Untrained individuals should not handle this chemical or its container. Handling should occur in a chemical fume hood.

Hazards Identification

Inhalation

Respiratory tract irritation may occur. Pulmonary sensitization with bronchospasm on re-exposure is possible. Released oxides of nitrogen could produce severe irritation or pulmonary edema.

Skin

Direct contact produces skin irritation. Dermal hypersensitivity reactions may be seen on re-exposure.

Eyes

Irritation may result from direct eye contact. Exposure to vapors may produce irritation to the mucosa of the nose and throat.

Ingestion

Gastrointestinal tract irritation could potentially occur.

Hazards

When heated to decomposition, it emits toxic fumes of nitrogen oxides.

EC Risk Phrase

R 23 36/37/38 42/43 51/53

EC Safety Phrase

S 26 28 38 45 61

UN (DOT)

2290

Exposure Controls/Personal Protection

Personal Protection

Wear appropriate protective gloves, clothing and goggles.

Respirators

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

Exposure Effects

No data were available to assess the teratogenic potential of this agent. <br>No data were available to assess the potential effects of exposure to this agent during pregnancy or lactation.

Exposure limit(s)

TLV: 0.005 ppm; 0.045 mg/m3 (skin) (ACGIH 1991-1992). NIOSH REL: TWA 0.005 ppm (0.045 mg/m3) ST 0.02 ppm (0.180 mg/m3) skin

Poison Class

2

Fire Fighting Measures

Flash Point

155

Autoignition

430

Fire Fighting

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.

Upper exp. limit

4.5

Lower exp. limit

.7

Fire Potential

Combustible material: may burn but does not ignite readily.

Accidental Release Measures

Small spills/leaks

Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Do not use water.

Stability and Reactivity

Disposal Code

9

Stability

No data.

Incompatibilities

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

Combustion Products

Fire will produce irritating, corrosive and/or toxic gases.

Transport Information

UN Number

2290

Hazard Class

6.1

Packing Group

III

HS Code

2929 10 90