Isophorone Diisocyanate (mixture of isomers) , 99% , 4098-71-9
Synonym(s):
5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;5-Isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate;Isophorone diisocyanate
CAS NO.：4098-71-9
Empirical Formula: C12H18N2O2
Molecular Weight: 222.28
MDL number: MFCD00064956
EINECS: 223-861-6
PRODUCT 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 | n |
| Flash point: | >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. |
| InChIKey | NIMLQBUJDJZYEJ-UHFFFAOYSA-N |
| LogP | 4.75 at 25℃ |
Description and Uses
Isophorone diisocyanate (IPDI) (CAS No. 4098-71-9) is a clear to pale-yellow liquid with a camphorlike odor which is insoluble in water and miscible with most common organic solvents. IPDI exists in two conformers, cis and trans. Their reactivities are similar and each conformer is an asymmetrical molecule with the secondary isocyanate group being more reactive than the primary isocyanate group. Since the substance does not contain any groups that might oxidize or spontaneously ignite, it is not expected that IPDI would self-ignite, oxidize, or explode at ambient conditions. The water solubility is approximately 15 mg l-1 at 23 ℃, and hydrolysis with a half-life of about an hour leads to polymers or to the corresponding diamine.
Isophorone diisocyanate (IPDI) is used in theproduction of high-quality coatings, polyurethane paints, and varnishes and as an elastomer for casting compounds..
Safety
| Symbol(GHS) |    GHS06,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H315-H317-H319-H330-H334-H335-H411 |
| Precautionary statements | P260-P273-P280-P302+P352-P304+P340+P310-P305+P351+P338 |
| Hazard Codes | T,N |
| Risk Statements | 23-36/37/38-42/43-51/53-22 |
| Safety Statements | 26-28-38-45-61 |
| RIDADR | UN 2290 6.1/PG 3 |
| OEB | D |
| OEL | TWA: 0.005 ppm (0.045 mg/m3), STEL: 0.02 ppm (0.180 mg/m3) [skin] |
| WGK Germany | 2 |
| RTECS | NQ9370000 |
| Autoignition Temperature | 430 °C |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29291090 |
| Toxicity | LD50 orally in Rabbit: 4825 mg/kg LD50 dermal Rat > 7000 mg/kg |
