Product Description
Isophorone diisocyanate (IPDI) (CAS No. 4098-71-9) is an aliphatic diisocyanate compound that appears as a clear to pale-yellow liquid with a mild camphor-like odor. It is insoluble in water while showing excellent miscibility with many common organic solvents.
IPDI exists in two structural configurations, cis and trans forms, and is widely recognized for its stable chemical properties and controlled reactivity. Due to its excellent performance characteristics, it is commonly used as a key raw material in polyurethane systems and specialty chemical formulations.
With its outstanding solvent compatibility, stable liquid form, and excellent material performance, IPDI is an important building block for high-performance coatings, adhesives, elastomers, and other polyurethane-based products.
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 |
Applications of Isophorone Diisocyanate (IPDI) CAS No. 4098-71-9
Isophorone diisocyanate (IPDI) is an important aliphatic diisocyanate widely used in the manufacture of high-performance polyurethane materials. Its excellent weather resistance, chemical stability, and resistance to yellowing make it ideal for applications requiring long-term durability and superior appearance retention.
Polyurethane Coatings and Paints
IPDI is extensively used in polyurethane coatings, paints, and varnishes to improve hardness, flexibility, abrasion resistance, chemical resistance, and resistance to weathering and chalking. It helps produce coatings with excellent durability, gloss retention, and outdoor performance.
Elastomer and Flexible Material Applications
IPDI serves as a key raw material for polyurethane elastomers used in casting systems, sealants, mastics, and flexible textile coatings. It contributes to enhanced elasticity, mechanical strength, and resistance to environmental stress.
Industrial Coating Applications
Due to its excellent stability and performance characteristics, IPDI is widely applied in high-performance industrial coatings, providing improved adhesion, wear resistance, and protection for various substrates.
Specialty Polyurethane Applications
IPDI is also utilized in advanced polyurethane formulations, including applications such as contact lens materials and curing systems, where controlled reactivity and excellent optical and mechanical properties are required.
With its outstanding durability, low discoloration tendency, and excellent chemical resistance, IPDI is a valuable component in premium polyurethane coatings, elastomers, adhesives, and specialty polymer products.
