Identification

Numero CAS

4098-71-9

Nom scientifique (FR)

Isocyanate de 3-Isocyanatométhyl-3,5,5-Triméthylcyclohexyle

Nom scientifique (EN)

5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

Autres dénominations scientifiques (FR)

Diisocyanate d'isophorone

Autres dénominations scientifiques (Autre langues)

diisocyanate d'isophorone ; Isocyanate de 3-isocyanatométhyl - 3,5,5-triméthylcyclohexyle ; isophorone diisocyanate ; Isocyanic acid, methylene (3,5,5-trimethyl-3, 1-cyclohexylene)ester ; 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl-isocyanate ; Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl- ; Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester ; Isophorone diamine diisocyanate

Code EC

223-861-6

Code SANDRE

-

Number CIPAC

-

Formule chimique brute

\(\ce{ C12H18N2O2 }\)

Code InChlKey

NIMLQBUJDJZYEJ-UHFFFAOYSA-N

Code SMILES

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

CLP classification

Type de classification

Harmonisée

ATP insertion

CLP00

Description de la classification

Classification harmonisée selon réglement 1272/2008 ou CLP

Hazard statements
Hazard statement - Code H331
Hazard statement - Text Toxique par inhalation
Hazard class(es) Toxicité aiguë
EU hazard label -
Specific concentration limits Resp. Sens. 1;H334: C ≥ 0,5 %
Skin Sens.1;H317: C ≥ 0,5 %
M factor -
Acute toxicity estimate -
ECHA sheet
ECHA sheet

Regulations

Generalities

Poids moléculaire

222.29 g/mol

Parameters table

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Hydrosolubilité 15 mg.L-1
à 23°C
UNEP p.147
Densité 1.058 - UNEP p.147
Pression de vapeur 0.0635 Pa
à 20°C
UNEP p.147
Point de fusion -60 °C UNEP p.147
Constante de Henry 0.941 Pa.m3.mol-1
calculée
UNEP p.147
Coefficient de partage octanol/eau (Log Kow) 4.75 -
calculé
UNEP p.147
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Matrixes

Terrestrial environment

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Coefficient de partage carbone organique/Eau (Koc) 36475 L.kg-1
calculé
UNEP p.147
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Persistence

Biodegradability

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Biodégradabilité non biodégradable -
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Abiotic degradability

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Photolyse 1.8 jour
calculé
UNEP p.147
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Bioaccumulation

Aquatic organisms

Organismes aquatiques
ineris name Specie Value Trofic level Taxon Matrix Life stage Effect Detailed effect Duration of exposure ineris method Guideline Commentary Source
Bioaccumulation BCF 910 -
calculé
UNEP p.147
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Accidental values

Other accidental thresholds

Other accidental thresholds
ineris name Duration Value Source Status state Commentary
PAC-1 60 min 0,02 ppm EHSS (2018) Final
REL-STEL, LOC, rat 240-min LC50
PAC-2 60 min 0,14 ppm EHSS (2018) Final
REL-STEL, LOC, rat 240-min LC50
PAC-3 60 min 0,6 ppm EHSS (2018) Final
REL-STEL, LOC, rat 240-min LC50
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Regulatory values

Valeurs réglementaires
ineris name Value Source Commentary Critical effect retained Status state Duration of exposure Environment Exposure source Factor Management context Age-Dependent Adjustments Factors ADAF - Age range ADAF - Value ADAF - URL
VLEP CT 0,02 ppm INRS (2024)
Valeur limite admise (circulaire)
Final Air Lieux de travail
VLEP CT 0,18 mg.m-3 INRS (2024)
Valeur limite admise (circulaire)
Final Air Lieux de travail
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Hazards

Hazard values

Valeurs de danger
ineris name Specie Value Trofic level Taxon Matrix Life stage Effect Detailed effect Duration of exposure ineris method Guideline Commentary Source
CL/CE50 >50 mg.L-1 Algue UNEP p.147
CL/CE50 23 mg.L-1 Invertebré UNEP p.147
CL/CE50 110 mg.L-1 Poisson UNEP p.147
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Ecotoxicological values

Guide values

Valeurs guides
ineris name Value Matrix Target Critical effect retained Duration of exposure Factor Commentary Status state Value retained by INERIS Year Source
PNEC chronique / AA-QSwater_eco 0.06 mg.L-1 Eau douce 50
Test réalisé sur produit de dégradation (cas n°2855-13-2) - extrapolation
Yes UNEP p.147
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