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.
02 · Identifiers
3-isocyanatomethyl-3,5,5-trime… identifiers and molecular data
3-isocyanatomethyl-3,5,5-trime… CAS number and EC number
3-isocyanatomethyl-3,5,5-trime… molecular formula and molecular weight
Other names for 3-isocyanatomethyl-3,5,5-trime…
- isophorone di-isocyanate
03 · GHS classification
3-isocyanatomethyl-3,5,5-trime… hazard classification
Harmonised classification under CLP Annex VI. This is the legally binding classification in the EU; other jurisdictions may differ.
3-isocyanatomethyl-3,5,5-trime… pictograms and signal word
3-isocyanatomethyl-3,5,5-trime… hazard class and category
| Hazard class | Category | From code | Pictogram |
|---|---|---|---|
| Acute toxicity - inhalation GHS chapter 3.1 | Category 3 | H331 | GHS06 |
| Skin corrosion/irritation GHS chapter 3.2 | Category 2 | H315 | GHS07 |
| Serious eye damage/eye irritation GHS chapter 3.3 | Category 2A | H319 | GHS07 |
| Respiratory sensitisation GHS chapter 3.4 | Category 1 or 1A or 1B | H334 | GHS08 |
| Skin sensitisation GHS chapter 3.4 | Category 1 or 1A or 1B | H317 | GHS07 |
| Specific target organ toxicity - single exposure GHS chapter 3.8 | Category 3 | H335 | GHS07 |
| Hazardous to the aquatic environment - chronic GHS chapter 4.1 | Category 2 | H411 | GHS09 |
Where two values are shown with “or”, the hazard statement is shared by more than one category or by more than one class, and the code alone does not say which. H272, for example, belongs to oxidising liquids and to oxidising solids — the physical state decides. The binding answer for a specific entry is in the CLP Annex VI table itself.
3-isocyanatomethyl-3,5,5-trime… hazard statements (H-codes)
| 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. |
This page lists only the codes assigned to 3-isocyanatomethyl-3,5,5-t…. The full reference lives on the hazard statements hub, the precautionary statements hub and the GHS pictograms hub.
Safety Data Sheet
Getting an SDS for 3-isocyanatomethyl-3,5,5-t…
A Safety Data Sheet is written for a product, not for a substance: the supplier of the grade you actually buy issues it, so two suppliers of 3-isocyanatomethyl-3,5… issue two different sheets. That is why there is no single authoritative SDS for a substance to download — what there is, is the job of collecting the sheets for the products you hold and keeping them current as suppliers revise them.
04 · Precautionary statements
3-isocyanatomethyl-3,5,5-trime… precautionary statements
CLP Annex VI assigns 19 precautionary statements to 3-isocyanatomethyl-3,5,5-t…. They are grouped the way a label groups them: what to do before handling, what to do when something has already happened, how to store it and how to dispose of it.
Prevention
What to do before and during handling so the hazard never happens.
Response
What to do once exposure, spillage or fire has already happened.
Disposal
What has to happen to the contents and the empty container.
Reading the notation. … is a blank the supplier fills in — not a truncated sentence.· [square brackets] mark a part printed only when it applies.
05 · Names in the regulation
3-isocyanatomethyl-3,5,5-trime… name in 23 EU languages
CLP Annex VI Part 3 is published in every language edition of the regulation, and the identification column is written out in each of them. Nothing below is translated by us: each line is the name as that edition prints it. Under Art. 18(2) the substance name from Annex VI is a lawful product identifier, so this is the wording to put on a label going to that market — and where the cell lists several designations, any one of them qualifies.
| Language | Name in CLP Annex VI Part 3 |
|---|---|
| Bulgarian български | 3-изоцианатометил-3,5,5-триметилциклохексилов изоцианат изофорондиизоцианат |
| Spanish español | Isocianato de 3-isocianatometil-3,5,5-trimetilciclohexilo di-isocianato de isoforona |
| Czech čeština | 3-(isokyanatomethyl)-3,5,5-trimethylcyklohexylisokyanát isoforondiisokyanát |
| Danish dansk | 3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanat isophorondiisocyanat |
| German Deutsch | 3-Isocyanatomethyl-3,5,5- trimethylcyclohexylisocyanat Isophorondiisocyanat |
| Estonian eesti | 3-isotsüanatometüül-3,5,5-trimetüültsükloheksüülisotsüanaat isoforoondiisotsüanaat |
| Greek ελληνικά | ισοκυανικό 3-ισοκυανομεθυλο-3,5,5-τριμεθυλοκυκλοεξύλιο διισοκυανική ισοφορόνη |
| English English | 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate isophorone di-isocyanate |
| French français | isocyanate de 3-isocyanatométhyl-3,5,5-triméthylcyclohexyle di-isocyanate d'isophorone |
| Croatian hrvatski | 3-izocijanatometil-3,5,5-trimetilcikloheksil izocijanat izoforon di-izocijanat |
| Italian italiano | isocianato di 3-isocianatometil-3,5,5-trimetilcicloesile isoforone di-isocianato |
| Latvian latviešu | 3-izocianatometil-3,5,5-trimetilcikloheksilizocianāts izoforona diizocianāts |
| Lithuanian lietuvių | 3-izocianatometil-3,5,5-trimetilcikloheksilizocianatas izoforondiizocianatas |
| Hungarian magyar | 3-izocianátometil-3,5,5-trimetilciklohexil-izocianát izoforon-diizocianát |
| Maltese Malti | 3-isoċjanatometil-3,5,5-trimetilċikloessil isoċjanat di-isoċjanat tal-isoforon |
| Dutch Nederlands | 3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanaat isoforondiisocyanaat |
| Polish polski | izocyjanian 3-izocyjanianometylo-3,5,5-trimetylocykloheksylu diizocyjanian izoforonu |
| Portuguese português | isocianato de 3-isocianatometil-3,5,5-trimetilciclo-hexilo diisocianato de isoforona |
| Romanian română | izocianat de 3-izocianato-metil-3,5,5-trimetilciclohexil diizocianat de izoforon |
| Slovak slovenčina | 3-(izokyanátometyl)-3,5,5-trimetylcyklohexylizokyanát izoforóndiizokyanát |
| Slovenian slovenščina | 3-izocianatometil-3,5,5-trimetilcikloheksil izocianat izoforon diizocianat |
| Finnish suomi | 3-isosyanaattimetyyli-3,5,5-trimetyylisykloheksyyli-isosyanaatti isoforonidi-isosyanaatti |
| Swedish svenska | 3-isocyanatometyl-3,5,5-trimetylcyklohexylisocyanat isoforondiisocyanat |
All 23 language editions of Annex VI carry this entry. Irish is the twenty-fourth official EU language and has no line here for a different reason: no consolidated CLP text has ever been published in Irish, so there is no Irish edition of Annex VI to quote a name from. Source: consolidated CLP, CELEX 02008R1272, language editions. © European Union, https://eur-lex.europa.eu — only the electronic Official Journal of the European Union is authentic.
06 · Label elements
3-isocyanatomethyl-3,5,5-trime… GHS label elements
Everything CLP Annex VI fixes for 3-isocyanatomethyl-3,5,5-t…, laid out the way it appears on a label. The greyed lines are the parts only the supplier can fill in.
Danger
3-isocyanatomethyl-3,5,5-trime…
- Toxic if inhaled.
- May cause respiratory irritation.
- Causes skin irritation.
- Causes serious eye irritation.
- May cause allergy or asthma symptoms or breathing difficulties if inhaled.
- May cause an allergic skin reaction.
- Toxic to aquatic life with long lasting effects.
- Do not breathe dust/fume/gas/mist/vapours/spray.
- Avoid breathing dust/fume/gas/mist/vapours/spray.
- Wash … thoroughly after handling.
- Use only outdoors or in a well-ventilated area.
- Contaminated work clothing should not be allowed out of the workplace.
- Avoid release to the environment.
- Wear protective gloves/protective clothing/eye protection/face protection/hearing protection/…
- IF ON SKIN:
- IF INHALED:
- IF IN EYES:
- Immediately call a POISON CENTER/doctor/…
- Get medical advice/attention.
- If skin irritation occurs:
- If skin irritation or rash occurs:
- If eye irritation persists:
- Remove contact lenses, if present and easy to do. Continue rinsing.
- Wash with plenty of water/…
- Collect spillage.
- Dispose of contents/container to …
Supplier name, address and telephone number· Product identifier·Nominal quantity
Need this as an actual label? Open 3-isocyanatomethyl-3,5,5-t… in the GHS label constructor →
07 · Health hazards
3-isocyanatomethyl-3,5,5-trime… health hazards and exposure limits
3-isocyanatomethyl-3,5,5-trime… hazard summary
May cause skin sensitization; [ICSC] Danger of sensitization of the airways and skin; [MAK] See DIISOCYANATES.
Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
3-isocyanatomethyl-3,5,5-trime… occupational exposure limits
| Limit | Value | Source |
|---|---|---|
| PEL | none See Appendix G | The National Institute for Occupational Safety and Health (NIOSH) |
| REL | 0.005 ppm (0.045 mg/m³) | Occupational Safety and Health Administration (OSHA) |
| REL | 0.02 ppm (0.180 mg/m³) | Occupational Safety and Health Administration (OSHA) |
| REL | TWA 0.005 ppm (0.045 mg/m3) ST 0.02 ppm (0.180 mg/m3) [skin] | The National Institute for Occupational Safety and Health (NIOSH) |
| IDLH | N.D. | The National Institute for Occupational Safety and Health (NIOSH) |
These are United States values. The European Union sets its own indicative and binding limits, and the figure that applies at a given workplace is the one in the local regulation — not the one shown here.
08 · 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.
3-isocyanatomethyl-3,5,5-trime… boiling point
| 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 |
3-isocyanatomethyl-3,5,5-trime… melting point
| Property | Value | Conditions | Source |
|---|---|---|---|
| Melting point | -60 °C (-76 °F) | NIOSH |
3-isocyanatomethyl-3,5,5-trime… density
| Property | Value | Conditions | Source |
|---|---|---|---|
| Density | 1.056 g/cm³ | HSDB | |
| 1.06 g/cm³ | NIOSH |
3-isocyanatomethyl-3,5,5-trime… solubility
| Property | Value | Conditions | Source |
|---|---|---|---|
| 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 |
3-isocyanatomethyl-3,5,5-trime… vapor pressure
| Property | Value | Conditions | Source |
|---|---|---|---|
| Vapor pressure | 0.0003 mmHg | NIOSH | |
| 0.0003 mmHg | at 20 °C | HSDB |
3-isocyanatomethyl-3,5,5-trime… flash point
| Property | Value | Conditions | Source |
|---|---|---|---|
| Flash point | 155 °C (311 °F) | HSDB |
3-isocyanatomethyl-3,5,5-trime… autoignition temperature
| Property | Value | Conditions | Source |
|---|---|---|---|
| Autoignition temperature | 430 °C (806 °F) | ICSC |
3-isocyanatomethyl-3,5,5-trime… lower explosive limit (LEL)
| Property | Value | Conditions | Source |
|---|---|---|---|
| Lower explosive limit (LEL) | 0.7 % by volume | ICSC | |
| Class IIIB Combustible Liquid: Fl.P. at or above 200 °F. | NIOSH |
3-isocyanatomethyl-3,5,5-trime… upper explosive limit (UEL)
| Property | Value | Conditions | Source |
|---|---|---|---|
| Upper explosive limit (UEL) | 4.5 % by volume | ICSC |
Values compiled from PubChem Laboratory Chemical Safety Summary. Temperatures converted to Fahrenheit for reference.
09 · Fire and explosion
3-isocyanatomethyl-3,5,5-t… fire and explosion behaviour
These are descriptions rather than measured values, so they are kept out of the table above and quoted here with the source that reported them.
3-isocyanatomethyl-3,5,5-trime… fire potential
A flammable liquid.
Source: Hazardous Substances Data Bank (HSDB)
10 · Handling and storage
3-isocyanatomethyl-3,5,5-trime… storage and handling
3-isocyanatomethyl-3,5,5-trime… safe storage
Separated from bases, acids, alcohols, amines, amides, phenols, mercaptans and food and feedstuffs. Keep in a well-ventilated room. Well closed. Cool. Dry. Store in an area without drain or sewer access.
Source: ILO-WHO International Chemical Safety Cards (ICSCs)
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)
3-isocyanatomethyl-3,5,5-trime… 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)
3-isocyanatomethyl-3,5,5-trime… 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 →
11 · Questions
3-isocyanatomethyl-3,5,5-trime… — frequently asked questions
What is the CAS number of 3-isocyanatomethyl-3,5,5-trime…?
The CAS number of 3-isocyanatomethyl-3,5,5-trime… is 4098-71-9. Its EC number is 223-861-6.
What is the chemical formula of 3-isocyanatomethyl-3,5,5-trime…?
The molecular formula of 3-isocyanatomethyl-3,5,5-trime… is C12H18N2O2 and its molecular weight is 222.28 g/mol.
What does a 3-isocyanatomethyl-3,5,5-trime… label have to show?
Under CLP Annex VI the label for 3-isocyanatomethyl-3,5,5-trime… carries the pictograms Skull and crossbones, Health hazard and Environment and the signal word is Danger.
Is 3-isocyanatomethyl-3,5,5-trime… flammable?
CLP Annex VI assigns 3-isocyanatomethyl-3,5,5-trime… no flammability hazard class. That is not a statement that it cannot burn: the harmonised list only records the hazards that were assessed for it. The flash point reported for it is 155 °C (311 °F) (HSDB).
Is 3-isocyanatomethyl-3,5,5-trime… a carcinogen?
CLP Annex VI records no harmonised carcinogenicity classification for 3-isocyanatomethyl-3,5,5-trime…. Annex VI is a list of agreed classifications, not a list of substances found safe, so this is an absence of a classification rather than a clean bill of health.
What is the exposure limit for 3-isocyanatomethyl-3,5,5-trime…?
The US occupational exposure limit reported for 3-isocyanatomethyl-3,5,5-trime… is none See Appendix G (The National Institute for Occupational Safety and Health (NIOSH)). Limits differ by country: the EU sets its own indicative and binding values, and the figure that applies at a given workplace is the one in the local regulation.
What is the boiling point of 3-isocyanatomethyl-3,5,5-trime…?
The boiling point reported for 3-isocyanatomethyl-3,5,5-trime… is 360 °C (680 °F), at 760 mmHg (DOE PAC).
What is the melting point of 3-isocyanatomethyl-3,5,5-trime…?
The melting point reported for 3-isocyanatomethyl-3,5,5-trime… is -60 °C (-76 °F) (NIOSH).
How should 3-isocyanatomethyl-3,5,5-trime… be stored?
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/ (Hazardous Substances Data Bank (HSDB))
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