Product Description of Isophorone diisocyanate CAS#4098-71-9
Isophorone diisocyanate (IPDI), identified by CAS No. 4098-71-9, presents as a clear to pale-yellow liquid distinguished by a characteristic camphor-like aroma. While it remains immiscible with water, it dissolves readily in a wide range of common organic solvents. Structurally, IPDI is found in two conformational isomers — the cis and trans forms.
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Chemical Properties of Isophorone diisocyanate CAS#4098-71-9
| 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 |
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Product Application of Isophorone diisocyanate CAS#4098-71-9
Isophorone diisocyanate (IPDI) serves as a key building block in the synthesis of high-performance polyurethanes known for their exceptional stability, outstanding resistance to light-induced discoloration, and robust chemical durability. Within the coatings industry, IPDI is extensively employed in paints and varnishes, where it contributes to improved hardness, flexibility, abrasion resistance, chemical resistance, as well as protection against chalking and weathering.
Beyond coatings, IPDI finds application in the production of elastomers used in casting compounds, sealants, and highly flexible textile coatings, alongside demanding industrial coating systems. It is also incorporated into the fabrication of contact lenses and functions as a curing agent across a variety of polyurethane formulations.
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