4098-71-9
Product Name:
Isophorone diisocyanate
Formula:
C12H18N2O2
Synonyms:
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
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Isophorone diisocyanate appears as a clear to light-yellow liquid. Slightly denser than water and insoluble in water. Toxic by inhalation and skin absorption. Very irritating to skin. Used to make polyurethane coatings. |
|---|---|
| Color/Form | Colorless to slightly yellow liquid |
| Odor | Pungent |
| Boiling Point | 316 °F at 10 mmHg (NTP, 1992) |
| Melting Point | -76 °F (NTP, 1992) |
| Flash Point | greater than 200 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 77 °F (NTP, 1992) |
| Density | 1.056 to 1.062 at 68 °F (USCG, 1999) |
| Vapor Pressure | 0.0003 mmHg at 68 °F ; 0.0007 mmHg at 122 °F (NTP, 1992) |
| LogP | 4.75 (calculated) |
| Autoignition Temperature | 430 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides and hydrogen cyanide/. |
| Chemical Classes | Plastics & Rubber -> Diisocyanates |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 222.28 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.136827821 g/mol |
| Monoisotopic Mass | 222.136827821 g/mol |
| Topological Polar Surface Area | 58.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 352 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isophorone diisocyanate appears as a clear to light-yellow liquid. Slightly denser than water and insoluble in water. Toxic by inhalation and skin absorption. Very irritating to skin. Used to make polyurethane coatings.