Table 1 Structures for the most commercially important isocyanates. Also presented is CAS number, molecular weight and other physico-chemical properties, such as melting point, boiling point and vapour pressure as well as solubility and main commercial uses
Compound | CAS number | Molecular weight (g · mol−1) | Structure | Melting point (°C) | Boiling point (°C at 760 mmHg) | Vapour pressure (mmHg at 25 °C) | Solubility | Commercial use |
|---|---|---|---|---|---|---|---|---|
Isocyanic acid (ICA) | 75-13-8 | 43.03 |
| −86 | 17 | 6752.5 | Water, benzene, toluene, ether |  |
Methyl isocyanate (MIC) | 624-83-9 | 57.05 |
| −45 | 39 | 348 | Water | Chemical intermediate |
Ethyl isocyanate (EIC) | 109-90-0 | 71.08 |
| −50 | 60 | 209.5 | Soluble in ethanol, ether, chlorinated and aromatic hydrocarbons as well as water | Chemical intermediate |
Propyl isocyanate (PIC) | 110-78-1 | 85.10 |
| −30 | 83 | 83.9 | Insoluble in water |  |
Phenyl isocyanate (PHI) | 103-71-9 | 119.12 |
| −30 | 163 | 2.1 | Water, alcohol; very soluble in ether | Chemical intermediate |
Hexamethylene di-isocyanate (HDI) | 822-06-0 | 168.19 |
| −67 | 255 | 0.0 | Water | Coatings |
Toluene di-isocyanate (2,4-TDI) | 584-84-9 | 174.16 |
| 20 | 251 | 0.0 | Very soluble in ether. acetone, and other organic solvents | PUF, PUR |
Toluene di-isocyanate (2,6-TDI) | 91-08-7 | 174.16 |
| 18 | 248 | 0.0 | Soluble in acetone, benzene, decomposes in water | PUF, PUR |
Methylene bisphenyl di-isocyanate (MDI) | 101-68-8 | 250.25 |
| 38 | 373 | 0.1 | Soluble in acetone, benzene, kerosene, and nitrobenzene, decomposes in water | PUR, PIR |
Isophorone di-isocyanate (IPDI) | 4098-71-9 | 222.28 |
| −60 | 158 | 0.0 | Soluble in esters, ketones, ethers, and aromatic and aliphatic hydrocarbons. Decomposes in water | Crosslinking agent, coatings |
