U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
455
PubMed

PubMed

TitleDatePubMed
Characterization of murine immune responses to allergenic diisocyanates.
1992 Feb
Combinations of microphase separation and terminal multiple hydrogen bonding in novel macromolecules.
2002 Jul 24
Synthesis of core-shell polyurethane-urea nanoparticles containing 4,4'-methylenedi-p-phenyl diisocyanate and isophorone diisocyanate by self-assembled neutralization emulsification.
2004 Nov 7
Cytokine mRNA profiles for isocyanates with known and unknown potential to induce respiratory sensitization.
2005 Feb 28
Chemical analysis of 2,4-toluene diisocyanate, 1,6-hexamethylene diisocyanate and isophorone diisocyanate in petrolatum patch-test preparations.
2005 Sep
Synthesis, characterization, shrinkage and curing kinetics of a new low-shrinkage urethane dimethacrylate monomer for dental applications.
2007 Aug
Influence of genetic factors on toluene diisocyanate-related symptoms: evidence from a cross-sectional study.
2008 Apr 30
Contact sensitization to 4,4'-diaminodiphenylmethane and to isocyanates among general dermatology patients.
2008 Aug
Development of a biodegradable bioadhesive containing urethane groups.
2008 Jan
Skin exposure to aliphatic polyisocyanates in the auto body repair and refinishing industry: II. A quantitative assessment.
2008 Mar
PEG- and PDMAEG-graft-modified branched PEI as novel gene vector: synthesis, characterization and gene transfection.
2010
Allergic skin inflammation induced by chemical sensitizers is controlled by the transcription factor Nrf2.
2013 Jul
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 Sat Dec 16 19:57:00 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:00 GMT 2023
Record UNII
43B0856528
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
IPDI
Common Name English
ISOPHORONE DIISOCYANATE [INCI]
Common 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 Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
Food Contact Sustance Notif, (FCN No.) FCN NO. 1191
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
Food Contact Sustance Notif, (FCN No.) FCN NO. 1060
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID0023826
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
PRIMARY
WIKIPEDIA
ISOPHORONE DIISOCYANATE
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
PRIMARY
PUBCHEM
169132
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
PRIMARY
HSDB
6337
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
PRIMARY
MESH
C015301
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-861-6
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
PRIMARY
CHEBI
53214
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
PRIMARY
FDA UNII
43B0856528
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
PRIMARY
CAS
4098-71-9
Created by admin on Sat Dec 16 19:57:00 GMT 2023 , Edited by admin on Sat Dec 16 19:57:00 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966