Isophorone diisocyanate
- CAS No.
- 4098-71-9
- Chemical Name:
- Isophorone diisocyanate
- Synonyms
- ipdi;3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYL ISOCYANATE;1,1,5,5-Tetramethylcyclohexane-a-1,3-diisocyanate;5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1,3,3-TRIMETHYLCYCLOHEXANE;5-Isocyanato-1-isocyanatomethyl-1,3,3-trimethylcoclohexane;Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-;JACS-4098-71-9;Ncgc00091745-01;UNII:43B0856528;Isophorondiisocyanat
- CBNumber:
- CB4130253
- Molecular Formula:
- C12H18N2O2
- Molecular Weight:
- 222.28
- MDL Number:
- MFCD00064956
- MOL File:
- 4098-71-9.mol
- MSDS File:
- SDS
| 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℃ |
| Indirect Additives used in Food Contact Substances | 3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYL ISOCYANATE |
| FDA 21 CFR | 177.1680 |
| CAS DataBase Reference | 4098-71-9(CAS DataBase Reference) |
| EWG's Food Scores | 6 |
| FDA UNII | 43B0856528 |
| EPA Substance Registry System | Isophorone diisocyanate (4098-71-9) |
SAFETY
Risk and Safety Statements
| 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 | |||||||||
| 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 | |||||||||
| NFPA 704 |
|
Isophorone diisocyanate price More Price(21)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 8.18586 | Isophorone diisocyanate (mixture of cis- and trans-isomers) for synthesis | 4098-71-9 | 250ML | $79.9 | 2024-03-01 | Buy |
| Sigma-Aldrich | 317624 | Isophorone diisocyanate 98% | 4098-71-9 | 5ml | $35.2 | 2024-03-01 | Buy |
| Sigma-Aldrich | 8.18586 | Isophorone diisocyanate (mixture of cis- and trans-isomers) for synthesis | 4098-71-9 | 1L | $261 | 2024-03-01 | Buy |
| Sigma-Aldrich | 317624 | Isophorone diisocyanate 98% | 4098-71-9 | 1l | $248 | 2024-03-01 | Buy |
| TCI Chemical | I0314 | Isophorone Diisocyanate (mixture of isomers) >99.0%(GC) | 4098-71-9 | 25mL | $28 | 2024-03-01 | Buy |
Isophorone diisocyanate Chemical Properties,Uses,Production
Description
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.
Chemical Properties
colourless or slightly yellow liquid
Chemical Properties
Isophorone diisocyanate is a liquid with a vapour pressure which is significantly lower than that of tolylene diisocyanate.
Uses
Isophorone diisocyanate (IPDI) is used in theproduction of high-quality coatings, polyurethane paints, and varnishes and as an elastomer for casting compounds..
Uses
Yields polyurethanes with high stability, resistance to light discoloration, and chemical resistance.
Uses
Isophorone diisocyanate is used in the manufacture of polyurethane with high stability, resistance to light discoloration and chemical resistance; used in paints and varnishes for hardness, flexibility, abrasion, chemical resistance to chalking and weathering; as an elastomer applicable for casting compounds and mastics to highly flexible textile coatings; foams; hard industrial coatings; manufacture of contact lenses; curing.
Definition
ChEBI: A diisocyanate in which the two isocyanate groups are linked by an isophorone substituent.
Preparation
Isophorone diisocyanate (IPDI) is prepared by the phosgenation of isophorone diamine (l-amino-3-aminomethyl-3,5,5-trimethylcydohexane):
General Description
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.
Air & Water Reactions
Insoluble in water. Isophorone diisocyanate may be sensitive to moisture.
Reactivity Profile
Isophorone diisocyanate reacts with all substances containing active hydrogen atoms such as water, alcohols, phenols, amines, mercaptans, amides, urethanes and ureas.
Hazard
A severe irritant, toxic by skin absorption.
Health Hazard
Isophorone diisocyanate is highly toxic by inhalation and moderately toxic through the skin. (Non-Specific -- Isocyanates) People with skin or respiratory problems should avoid exposure.
Health Hazard
Like most other isocyanates, IPDI exhibitsmoderate toxicity via inhalation. The acutetoxic symptoms are somewhat similar tothose of toluene-2,4- diisocyanate and diphenylmethane-4,4'-diisocyanate. Thus thetoxicity of such types is a characteristic ofthe -N=C=O functional group and to agreat extent is independent of the nature ofthe ring.
Inhalation of its vapor can cause bronchitis, asthma, tightness of chest, and dyspnea in humans. Recovery from these effectsmay occur in a short period from a lowconcentration exposure.
IPDI is an irritant to the skin and eyes.Exposure to this compound produces skinsensitization and eczema. Its oral toxicity isvery low.
LC50 value, inhalation (rats): 123 mg/m3/4 hrLD50 value, skin (rats): 1060 mg/m3
There is no report of its carcinogenic orreproductive effects in animals or humans.
Fire Hazard
When heated to decomposition, Isophorone diisocyanate emits toxic fumes of nitrogen oxides.
Environmental Fate
IPDI is a synthetic organic chemical, which does not occur naturally in the environment. At room temperature, it is a liquid. It is miscible with alcohol, diglycol, monoethyl ether, ether, acetone, carbon tetrachloride, benzene, chlorobenzene, kerosene, and olive oil. IPDI decomposes in water producing CO2, which can produce significant pressure in a closed container. Upon contact with water or moist air, IPDI will react to form stable, insoluble polyurea solids. This reactivity dramatically limits the mobility of these products in the event of a spill (spills are localized and have only transient impact), and the products will tend to remain in, and react within, the environment to which they are released. IPDI is not readily biodegradable. It reacts with water forming solid insoluble polyurea, isophorone diamine (IPDA), and CO2, thus the predominant removal mechanism is expected to be hydrolysis. The rate constant of the OH radical sensitized indirect photodegradation of isophorone diisocyanate corresponds to a half-life of 1.8 days at a 24 h mean OH radical concentration of 500 000 molecules per cm3. A preliminary hydrolysis test resulted in a dissipation half-life of 0.84 h (approximately 50 min) at 23 ℃. Polyurea is more or less inert and – due to its molecular size – not bioavailable. No biodegradation (0% degradation within 28 days) was observed in a manometric respiratory test performed with domestic, nonadapted activated sludge. As no degradation occurred in the test on ready biodegradability, it is not expected that a significant degradation would occur in a simulation test (water and soil). The test substance is considered as nonbiodegradable in surface water, sediment, and soil. However, biodegradation is considered as irrelevant as primary degradation step anyway because immediate hydrolysis takes place. Due to hydrolysis in water, bioaccumulation of IPDI is not expected. The bioaccumulation potential of the hydrolysis product IPDA is considered to be low (log Kow = 0.99). There are no data on terrestrial bioaccumulation available.
Toxicity evaluation
The toxicological properties of isocyanates are attributed to the –N=C=O group. The consequence is that in the hydrolysis of IPDI predominantly polyurea molecules are formed with liberation of CO2. The polyurea molecules are insoluble in water. Beside these insoluble main hydrolysis products, there are minor amounts of other hydrolysis products having a low to moderate molecular weight and these are more or less water soluble (e.g., isophorone diamine). The local toxic effect of the substance IPDI is not related to metabolic mechanisms, because it is a simple destruction of membranes due to corrosivity of the substance.
Waste Disposal
Disposal is by chemical incineration of IPDIsolution in a combustible solvent.
Isophorone diisocyanate Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Henan Bao Enluo International TradeCo.，LTD | +86-17331933971 +86-17331933971 | deasea125996@gmail.com | China | 2503 | 58 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21695 | 55 |
| Shanxi Naipu Import and Export Co.,Ltd | +86-13734021967 +8613734021967 | kaia@neputrading.com | China | 1011 | 58 |
| Hebei Guanlang Biotechnology Co., Ltd. | +86-19930503282 | alice@crovellbio.com | China | 8822 | 58 |
| Hubei xin bonus chemical co. LTD | 86-13657291602 | linda@hubeijusheng.com | CHINA | 22968 | 58 |
| Shandong chuangyingchemical Co., Ltd. | 18853181302 | sale@chuangyingchem.com | CHINA | 5909 | 58 |
| Shanghai Longyu Biotechnology Co., Ltd. | +8615821988213 | info@longyupharma.com | China | 2531 | 58 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 47465 | 58 |
| career henan chemical co | +86-0371-86658258 15093356674; | factory@coreychem.com | China | 29826 | 58 |
| BEYOND INDUSTRIES (CHINA) LIMITED | +86-21-52699951; +8613917686115 | sales@beyondindustriesgroup.com | China | 699 | 58 |
View Lastest Price from Isophorone diisocyanate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2023-08-02 | Isophorone diisocyanate
4098-71-9
|
US $10.00 / kg | 1kg | 99% | 500t/month | Henan Bao Enluo International TradeCo.，LTD | |
 |
2023-03-06 | Isophorone diisocyanate
4098-71-9
|
US $10.50 / KG | 1KG | 99.5% | 10 ton | Hebei Guanlang Biotechnology Co,.LTD | |
 |
2022-02-25 | Isophorone diisocyanate
4098-71-9
|
US $100.00 / KG | 1KG | 99 | 5tons | Shanxi Naipu Import and Export Co.,Ltd |
-
- Isophorone diisocyanate
4098-71-9
- US $10.00 / kg
- 99%
- Henan Bao Enluo International TradeCo.，LTD
-
- Isophorone diisocyanate
4098-71-9
- US $10.50 / KG
- 99.5%
- Hebei Guanlang Biotechnology Co,.LTD
-
- Isophorone diisocyanate
4098-71-9
- US $100.00 / KG
- 99
- Shanxi Naipu Import and Export Co.,Ltd