Isophorone diisocyanate
- IUPAC name
- 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
- Molecular formula
- C12H18N2O2
- Molecular weight
- 222.28 g/mol
- Exact mass
- 222.136827821 Da
- XLogP3
- 4.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 4
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:53214
- ChEMBL:CHEMBL1509442
- EPA DTXSID:DTXSID0023826
- PubMed:29594315
- PubMed:23564646
- PubMed:23067057
- PubMed:22892194
- PubMed:22777783
- PubMed:22500941
- PubMed:22482877
- PubMed:22428543
- PubMed:22271418
- PubMed:22237013
- PubMed:22195859
- PubMed:22163899
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.