Registration Dossier
Registration Dossier
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EC number: 223-861-6 | CAS number: 4098-71-9
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption/desorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- Empirical Quantitative Structure-Activity Relationship (QSAR): PCKowWin Version 1.66 as integrated in EpiWin Version 3.11 (first-order molecular connectivity index (1-MCI) method), Syracuse Research Center / U.S. EPA
- Type of method:
- other: QSAR
- Media:
- soil
- Computational methods:
- PCKowWin Version 1.66 as integrated in EpiWin Version 3.11 (first-order molecular connectivity index (1-MCI) method), Syracuse Research Center / U.S. EPA
- Type:
- Koc
- Value:
- 36 450
- Type:
- log Koc
- Value:
- 4.562
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The QSAR calculated adsorption coefficient of isophorone diisocyanate is Koc = 36,450; log Koc = 4.562, corresponding to "very high" geoaccumulation potential. However, due to hydrolysis this theoretical geoaccumulation potential has no practical relevance.
- Executive summary:
The QSAR calculated adsorption coefficient of isophorone diisocyanate is Koc = 36,450; log Koc = 4.562, corresponding to "very high" geoaccumulation potential. However, due to hydrolysis this theoretical geoaccumulation potential has no practical relevance.
- Endpoint:
- adsorption / desorption: screening
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the physicochemical properties of the substance indicate that it can be expected to have a low potential for adsorption
Referenceopen allclose all
"very high" potential for geoaccumulation (Blume scale)
Description of key information
According to REACH Annex VII, 9.3.1, column 2 the adsorption/desorption study does not need to be conducted as the substance and its relevant degradation products decompose rapidly.
Key value for chemical safety assessment
Additional information
Upon contact with water the diisocyanate groups of isophorone diisocyanate react by forming amines and CO2.
Under the test conditions required for covering this endpoint, the primary degradation product (isophorone diamine) will react further. Therefore, its adsorption / desorption cannot be measured. Quantifying the adsorption / desorption of the resulting polymer is technically not feasible because of its inhomogeneous composition, its low mobility inhibiting equilibration, and analytical limitations.
For the primary degradation product isophorone diamine the adsorption coefficient was corrected for dissociation and calculated to be Koc= 928, logKoc= 2.97 (pH 7) (QSAR, Franco and Trapp,2008).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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