Products Description of Isophorone Diisocyanate (IPDI) CAS#4098-71-9
Isophorone diisocyanate (IPDI), with CAS number 4098-71-9, appears as a clear to pale-yellow liquid and possesses a distinctive camphor-like scent. It does not dissolve in water, yet mixes easily with the majority of conventional organic solvents. IPDI is found in two conformational isomers: 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#4098-71-9
