(Q415415)

ISOPHORONE DIISOCYANATE (English)

isophorone diisocyanate exposure

6 October 2016

associated hazard

0 references

has effect

isophorone diisocyanate exposure

1 reference

chemical formula

C₁₂H₁₈N₂O₂

1 reference

ISOPHORONE DIISOCYANATE (English)

20 November 2016

canonical SMILES

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

1 reference

ISOPHORONE DIISOCYANATE (English)

20 November 2016

density

1.06±0.01 gram per cubic centimetre

20±1 degree Celsius

1 reference

melting point

−76±1 degree Fahrenheit

1 reference

−60 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

vapor pressure

0.0003±0.0001 millimetre of mercury

temperature

68±1 degree Fahrenheit

1 reference

Pensky–Martens closed-cup test

flash point

311±1 degree Fahrenheit

determination method

1 reference

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

2

1

1

W

1 reference

International Chemical Safety Card

http://www.ilo.org/dyn/icsc/showcard.display?p_card_id=0499&p_version=1&p_lang=en

International Programme on Chemical Safety

Isophorone diisocyanate (English)

point in time

November 2008

publisher

11 June 2018

Regulation (EC) No. 1272/2008

ICSC ID

0499

1 reference

https://www.sigmaaldrich.com/MSDS/MSDS/DisplayMSDSPage.do?country=PL&language=EN-generic&productNumber=317624&brand=ALDRICH&PageToGoToURL=https%3A%2F%2Fwww.sigmaaldrich.com%2Fcatalog%2Fproduct%2Faldrich%2F317624%3Flang%3Dpl

publisher

Sigma-Aldrich

Isophorone diisocyanate (English)

point in time

17 November 2015

11 June 2018

short-term exposure limit

NIOSH Pocket Guide ID

0356

0 references

0.18±0.01 milligram per cubic metre

applies to jurisdiction

no value

duration

15±1 minute

route of administration

skin absorption

1 reference

time-weighted average exposure limit

0.045±0.001 milligram per cubic metre

applies to jurisdiction

no value

duration

10±1 hour

1 reference

Class IIIB combustible liquid

has characteristic

1 reference

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

0 references

0 references

0 references

0 references

Isophorone diisocyanate

0 references

Identifiers

InChI

1 reference

ISOPHORONE DIISOCYANATE (English)

20 November 2016

2 references

ISOPHORONE DIISOCYANATE (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

4098-71-9

1 reference

Global Substance Registration System

isophorone diisocyanate (English)

20 November 2016

1 reference

Isophorone diisocyanate (English)

20 November 2016

1 reference

ISOPHORONE DIISOCYANATE (English)

20 November 2016

ChEBI ID

53214

mapping relation type

2 references

CHEMBL1509442 (English)

20 November 2016

International Chemical Identifier

InChI

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

1 reference

CHEMBL1509442 (English)

20 November 2016

2 references

inferred from InChIKey

MSBNK-Athens_Univ-AU506701

1 reference

MassBank accession ID

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Athens_Univ-AU506703

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Athens_Univ-AU506705

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Athens_Univ-AU506702

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

MSBNK-Athens_Univ-AU506704

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

0 references

0 references

NQ9370000

1 reference

imported from Wikimedia project

0 references

1 reference

Hazardous Substances Data Bank

28 October 2019

ISOPHORONE DIISOCYANATE (English)

10 May 2021

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID903826

0 references

EC number

223-861-6

1 reference

Global Substance Registration System

isophorone diisocyanate (English)

ECHA Substance Infocard ID

20 November 2016

100.021.692

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.021.692

27 December 2018

AICS Chemical ID (BEING DELETED)

3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate (English)

quotation

CAS no.: 4098-71-9 (English)

1 reference

28 December 2019

ISOPHORONE DIISOCYANATE (English)

quotation

CAS no.: 4098-71-9 (English)

8489

0 references

Human Metabolome Database ID

HMDB0253670

2 references

inferred from InChIKey

2 references

Global Substance Registration System

isophorone diisocyanate (English)

20 November 2016

IEDB Epitope ID

113238

1 reference