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| | Isophorone diisocyanate Basic information |
| Product Name: | Isophorone diisocyanate | | Synonyms: | [3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl] isocyanate;diisocyanated’isophorone;isocyanicacid,methylene(3,5,5-trimethyl-3,1-cyclohexylene)ester;isophoronediaminediisocyanate;isophoronediisocyanate,mixtureofstereoisomers;5-ISOCYANATO-1-ISOCYANATOMETHYL-1,3,3-TIMETHYLCYCLOHEXANE;ISOPHORONE DIISOCYANATE;Isophorone diisocyanate (mixture of isomers) | | CAS: | 4098-71-9 | | MF: | C12H18N2O2 | | MW: | 222.28 | | EINECS: | 223-861-6 | | Product Categories: | Organics;1 | | Mol File: | 4098-71-9.mol |  |
| | 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.) | | 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 | | 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) |
| 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 | | OEB | D | | OEL | TWA: 0.005 ppm (0.045 mg/m3), STEL: 0.02 ppm (0.180 mg/m3) [skin] | | 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 |
| | 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. | | Preparation | Isophorone diisocyanate (IPDI) is prepared by the phosgenation of isophorone diamine (l-amino-3-aminomethyl-3,5,5-trimethylcydohexane):
| | Definition | ChEBI: A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent. | | 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. | | Toxics Screening Level | The initial threshold screening level (ITSL) for isophorone diisocyanate (CAS #4098-71-9) is 0.45 μg/m3 with an 8-hour averaging time. | | Waste Disposal | Disposal is by chemical incineration of IPDIsolution in a combustible solvent. |
| | Isophorone diisocyanate Preparation Products And Raw materials |
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