Name: Isophorone diisocyanate CAS#4098-71-9
SKU: 0

Isophorone diisocyanate CAS#4098-71-9

Outstanding Weathering & Mechanical Performance: Effectively delivers high hardness, flexibility and abrasion resistance to polyurethane systems, with excellent UV and yellowing resistance, helping extend product service life and maintain appearance stability.

Key Polyurethane Raw Material: As a core cycloaliphatic diisocyanate monomer, it provides reliable curing performance and controlled reactivity while supporting long-term formulation stability.

Versatile Multi-Industry Applications: In addition to high-performance coatings, it is widely used in adhesives, sealants, polyurethane elastomers, foams, leather finishes and specialty resins.

Excellent Formulation Compatibility: Its cycloaliphatic structure and tunable reactivity make it a valuable ingredient in a variety of solvent-borne, waterborne and radiation-curable industrial formulations.

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Product Description

Product Description-Isophorone diisocyanate CAS#4098-71-9

Isophorone diisocyanate (C₁₂H₁₈N₂O₂), alternatively named IPDI, 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate or 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, is a cycloaliphatic diisocyanate monomer that enables controlled crosslinking and delivers superior light stability to polyurethane products. It appears as a clear to pale yellow liquid with low volatility. Beyond core coating applications, it is also extensively applied in adhesive, elastomer and specialty polymer sectors.

Product Applications-Isophorone diisocyanate CAS#4098-71-9

Isophorone diisocyanate (IPDI) is a high‑performance, low‑volatility crosslinking monomer with excellent weathering and chemical resistance, used to produce rigid‑to‑flexible polyurethane materials.

Its typical dosage in polyurethane systems ranges from 5% to 30%, with curing performance dependent on polyol selection and catalyst loading.

In coatings, it serves as a key raw material for automotive OEM, industrial and exterior polyurethane coatings, and can replace aromatic diisocyanates in weather‑resistant formulations. It also acts as a crosslinker for structural adhesives and sealants, a monomer for wear‑resistant polyurethane elastomers (rollers, gaskets, medical devices), and a building block for UV‑curable urethane acrylates and specialty prepolymers.

Produced via phosgenation of isophorone diamine, it is available in standard and modified grades for different curing requirements.

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Product Data

Chemical Properties-Isophorone diisocyanate CAS#4098-71-9

Product Name:	Isophorone diisocyanate
Synonyms:	[3,3,5-Trimethyl-5-(isocyanatomethyl)cyclohexyl] isocyanate;diisocyanated’isophorone;isocyanicacid,methylene(3,5,5-trimethyl-3,1-cyclohexylene)ester;isophoronediaminediisocyanate;isophoronediisocyanate,mixtureofstereoisomers;5-ISOCYANATO-1-ISOCYANATOMETHYL-1,3,3-TIMETHYLCYCLOHEXANE;ISOPHORONE DIISOCYANATE;Isophorone diisocyanate (mixture of isomers)
CAS:	4098-71-9
MF:	C12H18N2O2
MW:	222.28
EINECS:	223-861-6
Product Categories:	Organics;1
Mol File:	4098-71-9.mol
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	n20/D 1.484(lit.)
Fp	>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
Odor	Sharp, piercing odor
explosive limit	0.7-4.5%(V)
Water Solubility	<0.1 g/100 mL at 25 ºC
Sensitive	Moisture Sensitive
BRN	2726467
Exposure limits	PC-TWA:0.05 mg/m3; PC-STEL:0.1 mg/m3
Stability:	Reacts with all substances containing active hydrogen, such as acids, amines, water, phenols, mercaptans, amides, urea. Probably moisture sensitive.
Cosmetics Ingredients Functions	FILM FORMING
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
InChIKey	NIMLQBUJDJZYEJ-UHFFFAOYSA-N
SMILES	N(=C=O)C1CC(CC(C1)(C)C)(CN=C=O)C
LogP	4.75 at 25℃
CAS DataBase Reference	4098-71-9(CAS DataBase Reference)
EPA Substance Registry System	Isophorone diisocyanate (4098-71-9)

Safety Information-Isophorone diisocyanate CAS#4098-71-9

Hazard Codes	T,N
Risk Statements	23-36/37/38-42/43-51/53-22
Safety Statements	26-28-38-45-61
OEB	D
OEL	TWA: 0.005 ppm (0.045 mg/m3), STEL: 0.02 ppm (0.180 mg/m3) [skin]
RIDADR	UN 2290
WGK Germany	2
RTECS	NQ9370000
Autoignition Temperature	430 °C
TSCA	TSCA listed
HazardClass	6.1
PackingGroup	III
HS Code	29291090
Storage Class	6.1A - Combustible, acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 1 Inhalation Aquatic Chronic 2 Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3
Hazardous Substances Data	4098-71-9(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 4825 mg/kg LD50 dermal Rat > 7000 mg/kg

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