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Isophorone diisocyanate

CAS 4098-71-9OCNC6H7(CH3)3CH2NCOPolymer Science

Isophorone diisocyanate (CAS 4098-71-9), with a molecular weight of 222.28 g/mol and the linear formula OCN(C6H7(CH3)3CH2)NCO, is a key cycloaliphatic diisocyanate. It is primarily utilised as a monomer in the synthesis of advanced polymers, contributing to materials with excellent light stability and weather resistance. Its unique structure allows for the creation of high-performance polyurethanes and coatings.

IUPAC
5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Synonyms
5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
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Isophorone diisocyanate (OCNC6H7(CH3)3CH2NCO) — chemical structure, CAS 4098-71-9; Materials Science, fine chemical supplied by Tech Serve Solutions
Isocyanate MonomersMaterials ScienceMonomersPolymer Science
01 /Applications

Polyurethane Synthesis

Isophorone diisocyanate serves as a crucial building block in the production of polyurethane resins and elastomers. It imparts superior UV resistance and durability to the final polymers, making them suitable for demanding applications.

Coatings and Adhesives

This diisocyanate is used in formulating high-performance coatings and adhesives. Its cycloaliphatic nature contributes to excellent weatherability, gloss retention, and chemical resistance in protective finishes and bonding agents.

Materials Science Research

As a versatile monomer, isophorone diisocyanate is employed in materials science research for developing novel polymers with tailored properties. Its incorporation can enhance thermal stability and mechanical performance.

02 /Properties
Molecular weight222.28
Linear formulaOCNC6H7(CH3)3CH2NCO
Assay98%
Boiling point158-159 °C/15 mmHg(lit.)
Density1.049 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.484(lit.)
03 /Safety & handling
GHS hazard pictogram: Toxic (GHS06)
Toxic
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
GHS hazard pictogram: Environmental hazard (GHS09)
Environmental hazard
Danger

Hazard statements

  • H315Causes skin irritation
  • H317May cause an allergic skin reaction
  • H319Causes serious eye irritation
  • H331Toxic if inhaled
  • H334May cause allergy or asthma symptoms if inhaled
  • H335May cause respiratory irritation
  • H411Toxic to aquatic life with long-lasting effects

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P273Avoid release to the environment
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
  • P311Call a POISON CENTER or doctor
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point163 °C / 325.4 °F
Transport (UN / ADR)UN 2290 6.1 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)T,N
Risk statements (R)23-36/37/38-42/43-51/53
Safety statements (S)26-28-38-45-61

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
4098-71-9
MDL number
MFCD00064956
PubChem substance
24859092
Beilstein registry
2726467
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is Isophorone diisocyanate used for?

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Isophorone diisocyanate is primarily used as a monomer in the synthesis of polymers, particularly polyurethanes, and in the formulation of durable coatings and adhesives requiring excellent light stability and weather resistance.

What is the CAS number and chemical formula for Isophorone diisocyanate?

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The CAS number is 4098-71-9 and the linear formula is OCN(C6H7(CH3)3CH2)NCO.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Isophorone diisocyanate with an assay of 98%. We do not represent this product as USP, BP, or EP grade.

How should Isophorone diisocyanate be handled safely?

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Isophorone diisocyanate is a danger and is toxic if inhaled, causes skin and eye irritation, and may cause respiratory irritation. It is also a skin sensitiser and harmful to aquatic life. Handle with appropriate personal protective equipment including eyeshields, face shields, gloves, and a suitable respirator in a well-ventilated area. Avoid release to the environment.

How is Isophorone diisocyanate packed, shipped, and exported?

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Isophorone diisocyanate is packed according to UN 2290 6.1 / PGIII regulations for safe transport. Tech Serve Solutions is experienced in exporting fine chemicals globally.

How can I request a sample or quote for Isophorone diisocyanate?

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To request a sample or a quote for Isophorone diisocyanate, please contact our sales department through our website or by phone.

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