| Identification | More | [Name]
Isophorone diisocyanate | [CAS]
4098-71-9 | [Synonyms]
3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYL ISOCYANATE
5-ISOCYANATO-1-ISOCYANATOMETHYL-1,3,3-TIMETHYLCYCLOHEXANE
5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1,3,3-TRIMETHYLCYCLOHEXANE
ipdi
ISOPHORONE DIISOCYANATE
5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexan
diisocyanated’isophorone
isocyanicacid,methylene(3,5,5-trimethyl-3,1-cyclohexylene)ester
isophoronediaminediisocyanate
isophoronediisocyanate,mixtureofstereoisomers
Isophorone diisocyanate (mixture of isomers)
ISOPHORONE DIISOCYANATE, 98%, MIXTURE OF ISOMERS
IsophoroneDiisocyanat
Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-
ISOPHORENEDIISOCYANATE
ISOPHORONDIISOCYANATE
Isophorondiisocyanat
3-Isocyanatmethyl-3,5,5-trimethylcyclohexylisocyanat
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate isophorone di-isocyanate
1,1,5,5-Tetramethylcyclohexane-a-1,3-diisocyanate | [EINECS(EC#)]
223-861-6 | [Molecular Formula]
C11H14N2O3 | [MDL Number]
MFCD00064956 | [Molecular Weight]
222.24 | [MOL File]
4098-71-9.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless or slightly yellow liquid | [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.)
| [Fp ]
>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 | [Stability:]
Reacts with all substances containing active hydrogen, such as acids, amines, water, phenols, mercaptans, amides, urea. Probably moisture sensitive. | [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).
. | [InChIKey]
NIMLQBUJDJZYEJ-UHFFFAOYSA-N | [Uses]
Yields polyurethanes with high stability, resistance to light discoloration, and chemical resistance. | [CAS DataBase Reference]
4098-71-9(CAS DataBase Reference) | [EPA Substance Registry System]
4098-71-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T,N | [Risk Statements ]
R23:Toxic by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R42/43:May cause sensitization by inhalation and skin contact .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [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 |
| Hazard Information | Back Directory | [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. | [Reactivity Profile]
ISOPHORONE DIISOCYANATE(4098-71-9) reacts with all substances containing active hydrogen atoms such as water, alcohols, phenols, amines, mercaptans, amides, urethanes and ureas. | [Air & Water Reactions]
Insoluble in water. This chemical may be sensitive to moisture. | [Hazard]
A severe irritant, toxic by skin absorption. | [Health Hazard]
This material 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. | [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. Their reactivities are similar and each
conformer is an asymmetrical molecule with the secondary
isocyanate group being more reactive than the primary
isocyanate group. Since the substance does not contain any
groups that might oxidize or spontaneously ignite, it is not
expected that IPDI would self-ignite, oxidize, or explode at
ambient conditions. The water solubility is approximately
15 mg l-1 at 23 ℃, and hydrolysis with a half-life of
about an hour leads to polymers or to the corresponding
diamine. | [Chemical Properties]
colourless or slightly yellow liquid | [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):
| [Environmental Fate]
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. IPDI decomposes in
water producing CO2, which can produce significant pressure
in a closed container. Upon contact with water or
moist air, IPDI will react to form stable, insoluble polyurea
solids. This reactivity dramatically limits the mobility of
these products in the event of a spill (spills are localized
and have only transient impact), and the products will tend
to remain in, and react within, the environment to which
they are released. IPDI is not readily biodegradable. It reacts
with water forming solid insoluble polyurea, isophorone
diamine (IPDA), and CO2, thus the predominant removal
mechanism is expected to be hydrolysis. The rate constant
of the OH radical sensitized indirect photodegradation
of isophorone diisocyanate corresponds to a half-life of
1.8 days at a 24 h mean OH radical concentration of
500 000 molecules per cm3. A preliminary hydrolysis test
resulted in a dissipation half-life of 0.84 h (approximately
50 min) at 23 ℃. Polyurea is more or less inert and – due
to its molecular size – not bioavailable. No biodegradation
(0% degradation within 28 days) was observed in a manometric
respiratory test performed with domestic, nonadapted
activated sludge. As no degradation occurred in the
test on ready biodegradability, it is not expected that
a significant degradation would occur in a simulation test
(water and soil). The test substance is considered as
nonbiodegradable in surface water, sediment, and soil.
However, biodegradation is considered as irrelevant as
primary degradation step anyway because immediate hydrolysis takes place. Due to hydrolysis in water, bioaccumulation
of IPDI is not expected. The bioaccumulation
potential of the hydrolysis product IPDA is considered to
be low (log Kow = 0.99). There are no data on terrestrial
bioaccumulation available. | [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. |
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