Isophorone diisocyanate

Base Information

Chemical Name:Isophorone diisocyanate
CAS No.:4098-71-9
Deprecated CAS:101701-80-8,102771-74-4,105439-02-9,110648-35-6,111093-75-5,124961-52-0,129212-17-5,146282-59-9,146665-38-5,149579-36-2,194936-84-0,26602-93-7,50974-99-7,52985-93-0,63793-40-8,66708-07-4,70936-97-9,74091-63-7,74520-92-6,88778-74-9,1186289-22-4,1199811-14-7,1211316-62-9,135454-41-0,1548444-15-0,158750-30-2,1899018-41-7,1973479-17-2,201046-13-1,102771-74-4,105439-02-9,111093-75-5,1186289-22-4,1199811-14-7,1211316-62-9,124961-52-0,129212-17-5,146282-59-9,146665-38-5,149579-36-2,194936-84-0,26602-93-7,50974-99-7,52985-93-0,63793-40-8,66708-07-4,70936-97-9,74091-63-7,74520-92-6,88778-74-9
Molecular Formula:C12H18N2O2
Molecular Weight:222.287
Hs Code.:29291090
European Community (EC) Number:223-861-6
ICSC Number:0499
UN Number:2290
UNII:43B0856528
DSSTox Substance ID:DTXSID0023826
Nikkaji Number:J53.651B
Wikipedia:Isophorone_diisocyanate
Wikidata:Q415415
Metabolomics Workbench ID:58591
ChEMBL ID:CHEMBL1509442
Mol file:4098-71-9.mol

Synonyms:isophorone diisocyanate

Suppliers and Price of Isophorone diisocyanate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AK Scientific
Isophorone Diisocyanate (mixture of isomers)
25g
$ 27.00

Usbiological
Isophorone Diisocyanate
10ml
$ 305.00

TRC
Isophorone diisocyanate
50ml
$ 95.00

TRC
Isophorone diisocyanate
100ml
$ 135.00

TCI Chemical
Isophorone Diisocyanate (mixture of isomers) >99.0%(GC)
25mL
$ 23.00

TCI Chemical
Isophorone Diisocyanate (mixture of isomers) >99.0%(GC)
500mL
$ 92.00

Sigma-Aldrich
Isophorone diisocyanate 98%
250ml
$ 76.30

Sigma-Aldrich
Isophorone diisocyanate (mixture of cis- and trans-isomers) for synthesis. CAS 4098-71-9, molar mass 222.29 g/mol., (mixture of cis- and trans-isomers) for synthesis
8185860250
$ 61.50

Sigma-Aldrich
Isophorone diisocyanate (mixture of cis- and trans-isomers) for synthesis
250 mL
$ 58.92

Sigma-Aldrich
Isophorone diisocyanate 98%
5ml
$ 28.50

Total 23 raw suppliers

Chemical Property of Isophorone diisocyanate

Chemical Property:

Appearance/Colour:colourless or slightly yellow liquid
Vapor Pressure:0.00257mmHg at 25°C
Melting Point:-60 °C
Refractive Index:n20/D 1.484(lit.)
Boiling Point:286.9 °C at 760 mmHg
Flash Point:116 °C
PSA：58.86000
Density:1.06 g/cm³
LogP:2.24300
Storage Temp.:2-8°C
Sensitive.:Moisture Sensitive
Solubility.:Miscible with esters, ketones, ethers, and aromatic and aliphati
Water Solubility.:<0.1 g/100 mL at 25℃
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:222.136827821
Heavy Atom Count:16
Complexity:352
Transport DOT Label:Poison

Purity/Quality:

99% min ^*data from raw suppliers

Isophorone Diisocyanate (mixture of isomers) ^*data from reagent suppliers

Safty Information:

Pictogram(s): T,N
Hazard Codes:T,N
Statements: 23-36/37/38-42/43-51/53-22
Safety Statements: 26-28-38-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Plastics & Rubber -> Diisocyanates
Canonical SMILES:CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
Inhalation Risk:A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C on spraying.
Effects of Short Term Exposure:The substance is corrosive to the skin. The substance is severely irritating to the eyes. The aerosol is irritating to the respiratory tract.
Effects of Long Term Exposure:Repeated or prolonged contact may cause skin sensitization. Repeated or prolonged inhalation may cause asthma.
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.
Uses Yields polyurethanes with high stability, resistance to light discoloration, and chemical resistance. Isophorone diisocyanate (IPDI) is used in theproduction of high-quality coatings, polyurethane paints, and varnishes and as an elastomer for casting compounds.. 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.

Technology Process of Isophorone diisocyanate

There total 33 articles about Isophorone diisocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.8%