Substance profile
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate is a colorless to slightly yellow liquid with a pungent odor.
01 · Identification
What 3-isocyanatomethyl-3,5,5-trime… is
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate is a colorless to slightly yellow liquid with a pungent odor. Its molecular formula is C12H18N2O2 and its molecular weight is 222.28 g/mol. It boils at 360 °C, melts at -60 °C.
Under the GHS it carries the signal word Danger. It is classed as reactive agents - 1st degree.
Other names for 3-isocyanatomethyl-3,5,5-trime…
- isophorone di-isocyanate
02 · GHS classification
Hazards and label elements
Harmonised classification under CLP Annex VI. This is the legally binding classification in the EU; other jurisdictions may differ.
| Code | Hazard statement |
|---|---|
| H331 | Toxic if inhaled. |
| H335 | May cause respiratory irritation. |
| H315 | Causes skin irritation. |
| H319 | Causes serious eye irritation. |
| H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled. |
| H317 | May cause an allergic skin reaction. |
| H411 | Toxic to aquatic life with long lasting effects. |
Precautionary statements: P260, P261, P264, P271, P272, P273, P280, P302, P304, P305, P310, P313, P332, P333, P337, P338, P352, P391, P501
03 · Physical and chemical properties
3-isocyanatomethyl-3,5,5-trime… properties
Every value is shown with the conditions it was measured under and the source it came from. Where sources disagree, all values are listed rather than one being picked — the difference is usually a different form of the substance, not an error.
| Property | Value | Conditions | Source |
|---|---|---|---|
| Boiling point | 360 °C (680 °F) | at 760 mmHg | DOE PAC |
| 158 °C (316.4 °F) | at 10 mmHg (reduced pressure) | HSDB | |
| 157.78 °C (316 °F) | at 10 mmHg (reduced pressure) | CAMEO | |
| Melting point | -60 °C (-76 °F) | NIOSH | |
| Density | 1.056 g/cm³ | HSDB | |
| 1.06 g/cm³ | NIOSH | ||
| Solubility | Completely miscible with esters, ketones, ethers, and aromatic and aliphatic hydrocarbons. | HSDB | |
| less than 1 mg/mL at 77 °F (NTP, 1992) | at 25 °C | CAMEO | |
| Decomposes | decomposes | NIOSH | |
| Vapor pressure | 0.0003 mmHg | NIOSH | |
| 0.0003 mmHg | at 20 °C | HSDB | |
| Flash point | 155 °C (311 °F) | HSDB | |
| Autoignition temperature | 430 °C (806 °F) | ICSC | |
| Lower explosive limit (LEL) | 0.7 % by volume | ICSC | |
| Class IIIB Combustible Liquid: Fl.P. at or above 200 °F. | NIOSH | ||
| Upper explosive limit (UEL) | 4.5 % by volume | ICSC |
Values compiled from PubChem Laboratory Chemical Safety Summary. Temperatures converted to Fahrenheit for reference.
04 · Handling and storage
Storing and handling 3-isocyanatomethyl-3,5,5-trime…
Storage conditions
Isocyanates are transported in railroad tank cars, tank trucks, tanks in ships, containers, and drums. They are stored in steel tanks and processed in steel equipment. For long-term storage stainless steel is recommended. To avoid contamination by atmospheric moisture, a dry air or inert gas blanket is essential. /Isocyanates/
Source: Hazardous Substances Data Bank (HSDB)
Incompatible materials
Reacts with all substances containing active hydrogen atoms such as water, alcohols, phenols, amines, mercaptans, amides, urethanes, and ureas.
Source: Hazardous Substances Data Bank (HSDB)
Reactivity
ISOPHORONE DIISOCYANATE reacts with all substances containing active hydrogen atoms such as water, alcohols, phenols, amines, mercaptans, amides, urethanes and ureas. (NTP, 1992)
Source: CAMEO Chemicals
Planning storage for a mix of chemicals? Check 3-isocyanatomethyl-3,5,5… in the storage compatibility matrix →