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. 

Store below +30°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

LogP

4.75 at 25℃

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

OEB

D

OEL

TWA: 0.005 ppm (0.045 mg/m3), STEL: 0.02 ppm (0.180 mg/m3) [skin]

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

Description

Isophorone diisocyanate (IPDI) (CAS No. 4098-71-9) is a clear to pale-yellow liquid with a camphorlike odor which is insoluble in water and miscible with most common organic solvents. IPDI exists in two conformers, cis and trans.

Chemical Properties

Isophorone diisocyanate is a colourless or slightly yellow liquid, with a vapour pressure which is significantly lower than that of tolylene diisocyanate.

Chemical Properties

colourless or slightly yellow liquid

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; hard industrial coatings; manufacture of contact lenses; curing.

Definition

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

Preparation

Isophorone diisocyanate (IPDI) is prepared by the phosgenation of isophorone diamine (l-amino-3-aminomethyl-3,5,5-trimethylcydohexane):

General Description

Isophorone diisocyanate is 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

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.

Environmental Fate

Isophorone diisocyanate(IPDI) is a synthetic organic chemical, which does not occur naturally in the environment. At room temperature, it is a liquid. It is miscible with alcohol, diglycol, monoethyl ether, ether, acetone, carbon tetrachloride, benzene, chlorobenzene, kerosene, and olive oil.

Toxicity evaluation

The toxicological properties of isocyanates are attributed to the –N=C=O group. The consequence is that in the hydrolysis of IPDI predominantly polyurea molecules are formed with liberation of CO2. The polyurea molecules are insoluble in water. Beside these insoluble main hydrolysis products, there are minor amounts of other hydrolysis products having a low to moderate molecular weight and these are more or less water soluble (e.g., isophorone diamine). The local toxic effect of the substance IPDI is not related to metabolic mechanisms, because it is a simple destruction of membranes due to corrosivity of the substance.

Waste Disposal

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

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

• Hexamethylene Diisocyanate
• 1,4-Phenylene diisocyanate
• Tolylene-2,4-diisocyanate
• Isophorone
• 4,4'-Diphenylmethane diisocyanate
• Isophorondiamine
• 3-Isoxazolecarboxylic acid
• FEMA 2687
• TERPINYL ISOBUTYRATE
• 4-Methylvaleryl chloride
• 3-Isocyanatopropyltriethoxysilane
• TRIMETHYL-1,6-HEXAMETHYLENE DIISOCYANATE
• 3,3,5-TRIMETHYLCYCLOHEXYLAMINE
• Butyl isocyanate
• 3-METHYLCYCLOHEXYLAMINE
• Ethyl isocyanate
• TRIMETHYLHEXAMETHYLENEDIAMINE
• Propyl isocyanate