Molekula
Isophorone diisocyanate (IPDI)
Supplying 4,500+ customers in over 80 countries
ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 2000 · Listed pack sizes are a starting point — we manufacture, source and repack to the quantity you need
Isophorone diisocyanate (IPDI) is a versatile aliphatic diisocyanate used primarily in the production of high-performance polyurethane coatings, adhesives, and elastomers, where its excellent UV stability and flexibility are critical. It is also employed in the manufacture of rigid foams and specialty polymers requiring resistance to heat and chemicals. This hazardous chemical has a CAS number of 4098-71-9, a molecular formula of OCNC6H7(CH3)3CH2NCO, and a molecular weight of 222.28 g/mol. It must be stored at ambient temperatures and handled with caution, as indicated by its "Danger" signal word. Molekula supplies Isophorone diisocyanate from research to bulk quantities with full documentation and ISO 9001:2015 traceability.
Pricing & pack sizes
These pack sizes aren't a limit. Molekula manufactures, sources and repacks to order — if you need 500 kg and only see 1 kg listed, . We quote from grams to multi-tonne.
Need a different size? Add the nearest pack and change the size in your basket — we price it at the same rate per unit.
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5 g — $56.10 per pack
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Tell us how much you need and when — drums, IBCs, sacks or a one-off bulk lot. We'll manufacture or source it and come back with a price.
Prices exclude VAT/sales tax and shipping.
Specifications
| Property | Value |
|---|---|
| Appearance | colourless to slightly yellow liquid |
| Specification | WS 16305C |
| Assay (GC) | ≥ 99.5% |
| Total chlorine | ≤ 400 mg/kg |
| NCO | 37.5 - 37.8% |
| Hydrolyzable Chlorine | ≤ 200mg/kg |
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | Ambient |
| Transport Class | 6.1 |
| Packing Group | III |
| Acidity | Neutral |
Literature values
Published physical properties of the substance, not batch specifications.
| Property | Value |
|---|---|
| Appearance | Colorless to slightly yellow liquid |
| Odour | Pungent |
| Melting Point | -60 °C |
| Boiling Point | 360 °C at 760 mmHg |
| Density | 1.06 (relative, water = 1) |
| Vapour Pressure | 0.04 Pa at 20 °C |
Source: PubChem CID 169132 (HSDB, ICSC, PAC Chemical Database)
Identification
| Property | Value |
|---|---|
| SKU | 90023219 |
| CAS Number | 4098-71-9 |
| IUPAC Name | 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane |
| EC Number | 223-861-6 |
| Molecular Formula | OCNC6H7(CH3)3CH2NCO |
| Molecular Weight | 222.28 |
| Exact Mass | 222.1368 |
| SMILES | CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C |
| InChIKey | NIMLQBUJDJZYEJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3 |
| PubChem CID | 169132 |
| UN Number | UN2290 |
| REACH Code | Y110 |
| TSCA Listed | Yes |
| HTS Code | 2929.10.8090 |
| Tariff Code | 2929100090 |
Safety & GHS
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Toxic
GHS06
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Health Hazard
GHS07
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Serious Health Hazard
GHS08
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Hazardous to the Environment
GHS09
Hazard statements
- H317 May cause an allergic skin reaction
- H319 Causes serious eye irritation
- H330 Fatal if inhaled
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
- H335 May cause respiratory irritation
- H411 Toxic to aquatic life with long lasting effects
Precautionary statements
- 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+352 IF ON SKIN: Wash with soap and water
- P305+351+338 IF IN EYES: Rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing
- P308+313 IF exposed or concerned: Get medical advice/attention
Documents
Safety Data Sheets (SDS)
Available in English, German, Spanish, French, Italian, Portuguese, Arabic, Dutch.
Certificate of Analysis (CoA) by batch
Enter a lot or batch number to retrieve the CoA for that specific batch. We can generate one from spec data if no PDF is on file.
Synonyms
- 1-(Isocyanatomethyl)-5-isocyanato-1,3,3-trimethylcyclohexane
- 1,3,3-Trimethyl-1-(isocyanatomethyl)-5-isocyanatocyclohexane
- 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
- 3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl isocyanate
- 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
- Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-
- IPDI
- Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester
- Isophorone diamine diisocyanate
- ISOPHORONE DIISOCYANATE
Frequently asked questions
What is Isophorone diisocyanate (IPDI) commonly used for?
IPDI is primarily used in the production of polyurethane coatings, adhesives, elastomers, and flexible foams due to its excellent mechanical properties and chemical resistance.
What is the chemical formula and molecular weight of IPDI?
The chemical formula of IPDI is **OCNC₆H₇(CH₃)₃CH₂NCO**, and its molecular weight is **222.28 g/mol**.
How should IPDI be stored?
IPDI should be stored at **ambient temperature** in a cool, dry, and well-ventilated area, away from incompatible substances.
What grades or purity levels of IPDI does Molekula supply?
Molekula supplies **technical-grade IPDI** (typically ≥99% purity) for industrial applications. Custom specifications may be available upon request.
Can Molekula supply IPDI in bulk quantities?
Yes, Molekula can supply IPDI in **bulk quantities**, including drums, IBCs, or custom packaging, depending on order volume and logistics.
What documentation is provided with an IPDI order?
Each IPDI order includes a **Material Safety Data Sheet (MSDS/SDS)**, Certificate of Analysis (CoA), and a **Danger label** per GHS regulations.
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