Isophorone diisocyanate Chemical Properties

Melting point:

-60°C

Boiling point:

158-159 °C15 mm Hg(lit.)

Density 

1.049 g/mL at 25 °C(lit.)

vapor pressure 

0.0004 hPa (20 °C)

refractive index 

n20/D 1.484(lit.)

Flash point:

>230 °F

storage temp. 

2-8°C

solubility 

Miscible with esters, ketones, ethers, and aromatic and aliphatic hydrocarbons.

form 

Liquid

color 

Clear colorless to slightly yellow

explosive limit

0.7-4.5%(V)

Water Solubility 

<0.1 g/100 mL at 25 ºC

Sensitive 

Moisture Sensitive

BRN 

2726467

Exposure limits

TLV-TWA 0.0454 mg/m³ (0.005 ppm) (ACGIH and NIOSH); ceiling 0.181 mg/m³ (0.02 ppm)/10 min (NIOSH). .

Stability:

Reacts with all substances containing active hydrogen, such as acids, amines, water, phenols, mercaptans, amides, urea. Probably moisture sensitive.

InChIKey

NIMLQBUJDJZYEJ-UHFFFAOYSA-N

CAS DataBase Reference

4098-71-9(CAS DataBase Reference)

EPA Substance Registry System

Isophorone diisocyanate (4098-71-9)

Safety Information

Hazard Codes 

T,N

Risk Statements 

23-36/37/38-42/43-51/53-22

Safety Statements 

26-28-38-45-61

RIDADR 

UN 2290 6.1/PG 3

WGK Germany 

2

RTECS 

NQ9370000

Autoignition Temperature

430 °C

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29291090

Hazardous Substances Data

4098-71-9(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 4825 mg/kg LD50 dermal Rat > 7000 mg/kg

MSDS

• Language:English Provider:3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Isophorone diisocyanate Usage And Synthesis

Chemical Properties

colourless or slightly yellow liquid

Uses

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

Uses

Isophorone diisocyanate (IPDI) is used in theproduction of high-quality coatings, polyurethane paints, and varnishes and as an elastomer for casting compounds..

Uses

Isophorone diisocyanate is used in the manufacture of polyurethane with high stability, resistance to light discoloration and chemical resistance; used in paints and varnishes for hardness, flexibility, abrasion, chemical resistance to chalking and weathering; as an elastomer applicable for casting compounds and mastics to highly flexible textile coatings; foams; hard industrial coatings; manufacture of contact lenses; curing.

Definition

ChEBI: A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent.

General Description

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.

Air & Water Reactions

Insoluble in water. Isophorone diisocyanate may be sensitive to moisture.

Reactivity Profile

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

Hazard

A severe irritant, toxic by skin absorption.

Health Hazard

Like most other isocyanates, IPDI exhibitsmoderate toxicity via inhalation. The acutetoxic symptoms are somewhat similar tothose of toluene-2,4- diisocyanate and diphenylmethane-4,4'-diisocyanate. Thus thetoxicity of such types is a characteristic ofthe -N=C=O functional group and to agreat extent is independent of the nature ofthe ring.
Inhalation of its vapor can cause bronchitis, asthma, tightness of chest, and dyspnea in humans. Recovery from these effectsmay occur in a short period from a lowconcentration exposure.
IPDI is an irritant to the skin and eyes.Exposure to this compound produces skinsensitization and eczema. Its oral toxicity isvery low.
LC50 value, inhalation (rats): 123 mg/m³/4 hrLD50 value, skin (rats): 1060 mg/m³
There is no report of its carcinogenic orreproductive effects in animals or humans.

Health Hazard

Isophorone diisocyanate is highly toxic by inhalation and moderately toxic through the skin. (Non-Specific -- Isocyanates) People with skin or respiratory problems should avoid exposure.

Fire Hazard

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

Waste Disposal

Disposal is by chemical incineration of IPDIsolution in a combustible solvent.

Isophorone diisocyanate (4098-71-9)Related Product Information

• Isophorone
• 4,4'-Diphenylmethane diisocyanate
• ISOCYANATE
• Isophorone diisocyanate
• Isophorondiamine
• TRIMETHYL-1,6-HEXAMETHYLENE DIISOCYANATE
• 3,3,5-TRIMETHYLCYCLOHEXYLAMINE
• Butyl isocyanate
• 1-METHYLINDOLE-2-CARBOXALDEHYDE 97
• 3-METHYLCYCLOHEXYLAMINE
• Propyl isocyanate
• CYCLOHEXANEMETHYL ISOCYANATE 97
• Isocyanatocyclohexane
• Hexyl isocyanate
• Isobutyl isocyanate
• Hexamethylene Diisocyanate
• 1,4-Phenylene diisocyanate
• Tolylene-2,4-diisocyanate