Isophorone Diisocyanate CAS#4098-71-9
High Purity Liquid Form: Isophorone diisocyanate is supplied as a clear to pale-yellow liquid, ensuring consistent quality and ease of handling in industrial applications.
Excellent Solvent Compatibility: IPDI is miscible with most common organic solvents, enabling flexible formulation and efficient processing.
Water Insolubility for Stability: Its insolubility in water helps maintain stability and performance in moisture-sensitive systems.
Defined Molecular Structure: The presence of both cis and trans conformers provides predictable chemical behavior, making IPDI suitable for precise polymer and coating applications.
Isophorone Diisocyanate (CAS No. 4098-71-9)
Isophorone diisocyanate (IPDI) is a clear to pale-yellow liquid with a camphor-like odor. It is insoluble in water but readily miscible with most common organic solvents. The compound exists in two conformational forms, namely cis and trans.
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. |
| Cosmetics Ingredients Functions | FILM FORMING |
| InChI | 1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3 |
| InChIKey | NIMLQBUJDJZYEJ-UHFFFAOYSA-N |
| SMILES | N(=C=O)C1CC(CC(C1)(C)C)(CN=C=O)C |
| 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 | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29291090 |
| Storage Class | 6.1A - Combustible, acute toxic Cat. 1 and 2 |
| very toxic hazardous materials | |
| Hazard Classifications | Acute Tox. 1 Inhalation |
| Aquatic Chronic 2 | |
| Eye Irrit. 2 | |
| Resp. Sens. 1 | |
| Skin Irrit. 2 | |
| Skin Sens. 1 | |
| STOT SE 3 | |
| Hazardous Substances Data | 4098-71-9(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 4825 mg/kg LD50 dermal Rat > 7000 mg/kg |
Product Application of Isophorone Diisocyanate (CAS No. 4098-71-9)
Isophorone diisocyanate is used in the production of high-stability polyurethane materials with excellent resistance to light-induced discoloration and chemical attack. It is widely applied in paints and varnishes to enhance hardness, flexibility, abrasion resistance, and resistance to chemicals, chalking, and weathering.
In addition, it is utilized in elastomer formulations for casting compounds and mastics, as well as in highly flexible textile coatings and hard industrial coatings. Isophorone diisocyanate is also employed in the manufacture of contact lenses and as a curing agent in various applications.
