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Details

Stereochemistry MIXED
Molecular Formula C12H18N2O2
Molecular Weight 222.2835
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ISOPHORONE DIISOCYANATE

SMILES

CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O

InChI

InChIKey=NIMLQBUJDJZYEJ-UHFFFAOYSA-N
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

HIDE SMILES / InChI
Molecular Formula C12H18N2O2
Molecular Weight 222.2835
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

2023
446
PubMed

PubMed

TitleDatePubMed
Allergic skin inflammation induced by chemical sensitizers is controlled by the transcription factor Nrf2.
2013-07
Enhanced gene delivery using biodegradable poly(ester amine)s (PEAs) based on low-molecular-weight polyethylenimine and poly(epsilon-caprolactone)-pluronic-poly(epsilon-caprolactone).
2010-08
Adsorption efficiency of respirator filter cartridges for isocyanates.
2010-06
Microwave irradiation as a versatile tool for increasing reaction rates and yields in synthesis of optically active polyamides containing flexible L-leucine amino acid.
2010-05
Application of prepared waterborne polyurethane extended with chitosan to impart antibacterial properties to acrylic fabrics.
2010-02
PEG- and PDMAEG-graft-modified branched PEI as novel gene vector: synthesis, characterization and gene transfection.
2010
Contact and respiratory sensitizers can be identified by cytokine profiles following inhalation exposure.
2009-07-10
Fabrication and characterization of ophthalmically compatible hydrogels composed of poly(dimethyl siloxane-urethane)/Pluronic F127.
2009-06-01
Porous bioactive scaffold of aliphatic polyurethane and hydroxyapatite for tissue regeneration.
2009-04
Synthesis and characterization of a sterically stabilized polyelectrolyte using isophorone diisocyanate as the coupling reagent.
2009
The respiratory local lymph node assay as a tool to study respiratory sensitizers.
2008-12
Validation of transferability of DBA derivatization and LC-MS/MS determination method for isocyanates via an interlaboratory comparison.
2008-11
Contact sensitization to 4,4'-diaminodiphenylmethane and to isocyanates among general dermatology patients.
2008-08
Influence of genetic factors on toluene diisocyanate-related symptoms: evidence from a cross-sectional study.
2008-04-30
Skin exposure to aliphatic polyisocyanates in the auto body repair and refinishing industry: II. A quantitative assessment.
2008-03
Development of a biodegradable bioadhesive containing urethane groups.
2008-01
Preparation of polyurethane nanocapsules by miniemulsion polyaddition.
2007-12
Th2 Cytokines in Skin Draining Lymph Nodes and Serum IgE Do Not Predict Airway Hypersensitivity to Intranasal Isocyanate Exposure in Mice.
2007-11
Model fluorous polyurethane surface modifiers having co-polyoxetane soft blocks with trifluoroethoxymethyl and bromomethyl side chains.
2007-10-09
Use of telechelic cis-1,4-polyisoprene cationomers in the synthesis of antibacterial ionic polyurethanes and copolyurethanes bearing ammonium groups.
2007-10
Synthesis, characterization, shrinkage and curing kinetics of a new low-shrinkage urethane dimethacrylate monomer for dental applications.
2007-08
Skin exposure to isocyanates: reasons for concern.
2007-03
A method of test for residual isophorone diisocyanate trimer in new polyester-polyurethane coatings on light metal packaging using liquid chromatography with tandem mass spectrometric detection.
2007-02-02
Modification of the biopolymer castor oil with free isocyanate groups to be applied as bioadhesive.
2007-01-30
Water makes it hydrophobic: contraphilic wetting for polyurethanes with soft blocks having semifluorinated and 5,5-dimethylhydantoin side chains.
2007-01-02
Inconsistencies between cytokine profiles, antibody responses, and respiratory hyperresponsiveness following dermal exposure to isocyanates.
2006-11
An FTIR investigation of isocyanate skin absorption using in vitro guinea pig skin.
2006-05
Chemical analysis of 2,4-toluene diisocyanate, 1,6-hexamethylene diisocyanate and isophorone diisocyanate in petrolatum patch-test preparations.
2005-09
Cytokine mRNA profiles for isocyanates with known and unknown potential to induce respiratory sensitization.
2005-02-28
Synthesis of core-shell polyurethane-urea nanoparticles containing 4,4'-methylenedi-p-phenyl diisocyanate and isophorone diisocyanate by self-assembled neutralization emulsification.
2004-11-07
Allergic contact dermatitis from isocyanates among sculptors.
2004-09
Synthesis and characterization of novel polyurethane cationomers with dipeptide sequences and alkylammonium groups.
2004
Common shoe allergens undetected by commercial patch-testing kits: dithiodimorpholine and isocyanates.
2003-06
Allergic contact dermatitis from dicyclohexylmethane-4,4'-diisocyanate.
2003-06
Evaluation of denuder sampling for a mixture of three common gaseous diisocyanates.
2003-03
Combinations of microphase separation and terminal multiple hydrogen bonding in novel macromolecules.
2002-07-24
Diisocyanate emission from a paint product: a preliminary analysis.
2002-07
Variable effects of chemical allergens on serum IgE concentration in mice. Preliminary evaluation of a novel approach to the identification of respiratory sensitizers.
1992-10
Characterization of murine immune responses to allergenic diisocyanates.
1992-02
Patents

Patents

JP1014288A
1
JP2000109682A
1
JP2000159847A
1
JP2000313734A
1
JP2000319137A
1
JP2001512516A
2
JP2001525429A
1
JP2002138129A
1
JP2002537454A
1
JP2002541281A
1
JP2002542351A
1
JP2002543231A
28
JP2003522227A
1
JP2005024591A
1
JP2005511671A
1
JP2005522543A
1
JP2006521437A
1
JP2007516867A
4
JP2008156506A
1
JP2008504383A
1
JP2009286920A
1
JP2009292778A
1
JP2009533190A
2
JP2011504197A
1
JP2011510105A
1
JP2011525400A
1
JP2011525554A
1
JPH00859303A
1
JPH01132644A
1
JPH01230603A
2
JPH01249873A
1
JPH03200828A
1
JPH03215268A
1
JPH0413713A
1
JPH04170415A
1
JPH04246492A
1
JPH05111530A
1
JPH05213058A
1
JPH05320571A
1
JPH059435A
1
JPH06192384A
1
JPH06234826A
1
JPH07188638A
1
JPH07252437A
1
JPH072755A
1
JPH07316258A
1
JPH0776693A
1
JPH08311148A
1
JPH09183942A
1
JPH09302069A
1
JPH0971627A
1
Substance Class Chemical
Created
by admin
on Wed Apr 02 17:51:25 GMT 2025
Edited
by admin
on Wed Apr 02 17:51:25 GMT 2025
Record UNII
43B0856528
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IPDI
Preferred Name English
ISOPHORONE DIISOCYANATE
HSDB   INCI  
INCI  
Official Name English
ISOCYANIC ACID, METHYLENE(3,5,5-TRIMETHYL-3,1-CYCLOHEXYLENE) ESTER
Common Name English
1-ISOCYANATO-3-(ISOCYANATOMETHYL)-3,5,5-TRIMETHYLCYCLOHEXANE
Systematic Name English
(±)-ISOPHORONE DIISOCYANATE
Systematic Name English
ISOPHORONE DIISOCYANATE [HSDB]
Common Name English
1-ISOCYANATO-3,3,5-TRIMETHYL-5-(ISOCYANATOMETHYL)CYCLOHEXANE
Systematic Name English
3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYL ISOCYANATE
Systematic Name English
1,3,3-TRIMETHYL-1-(ISOCYANATOMETHYL)-5-ISOCYANATOCYCLOHEXANE
Systematic Name English
1-(ISOCYANATOMETHYL)-5-ISOCYANATO-1,3,3-TRIMETHYLCYCLOHEXANE
Systematic Name English
1-ISOCYANATO-3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXANE
Systematic Name English
3-ISOCYANATOMETHYL-3,5,5- TRIMETHYLCYCLOHEXYL ISOCYANATE
Systematic Name English
3,3,5-TRIMETHYL-5-(ISOCYANATOMETHYL)CYCLOHEXYL ISOCYANATE
Systematic Name English
ISOPHORONE DIISOCYANATE, (±)-
Systematic Name English
5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1,3,3-TRIMETHYLCYCLOHEXANE
Systematic Name English
CYCLOHEXANE, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1,3,3-TRIMETHYL-
Systematic Name English
ISOPHORONE DIAMINE DIISOCYANATE
Common Name English
ISOPHORONE DIISOCYANATE (IPDI)
Common Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 448
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO. 1191
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO. 1060
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID0023826
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
PRIMARY
WIKIPEDIA
ISOPHORONE DIISOCYANATE
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
PRIMARY
DAILYMED
43B0856528
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
PRIMARY
PUBCHEM
169132
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
PRIMARY
HSDB
6337
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
PRIMARY
MESH
C015301
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
PRIMARY
ECHA (EC/EINECS)
223-861-6
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
PRIMARY
CHEBI
53214
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
PRIMARY
FDA UNII
43B0856528
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
PRIMARY
CAS
4098-71-9
Created by admin on Wed Apr 02 17:51:25 GMT 2025 , Edited by admin on Wed Apr 02 17:51:25 GMT 2025
PRIMARY
NIH
NCATS
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