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EC number: 411-280-2 | CAS number: 74091-64-8 MR-8A; MR-N2; NBDI
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- 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
- Justification for type of information:
- The Log Kow of NBDA is 0.96 and the Koc is 1.52 (determined by QSAR). In addition, in accordance with section 2 of REACH Annex XI, as the substance reacts with water, it is technically not feasible to perform the study Adsorption/desorption (section 9.3.1). The substance reacts with water to form the diamine NBDA (Reaction mass of 5-(aminomethyl)-bicyclo[2.2.1]heptan-2-yl)methanamine and 6-(aminomethyl)-bicyclo[2.2.1]heptan-2-yl)methanamine). The conversion rate of NBDI to NBDA in water is fast; after 3 hours a conversion rate of 60-85% was shown.
- Endpoint:
- adsorption / desorption
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Study period:
- N/A
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The Koc of this substance has been calculated with EUSES version 2.1, based on logKow, by using the default QSAR model (for non-hydrophobics)
- Principles of method if other than guideline:
- The organic carbon-normalized sorption coefficient for soil and sediment; i.e. Koc, of this substance has been calculated with EUSES version 2.1, based on logKow, by using the default QSAR model (for non-hydrophobics). The Koc is estimated using the traditional method based on logKow.
- GLP compliance:
- no
- Type of method:
- other: Calculated
- Type:
- Koc
- Value:
- 33
- Remarks on result:
- other: Substance: NBDA; for each of the 2 constituents; based on logKow
- Type:
- log Koc
- Value:
- 1.52
- Remarks on result:
- other: Substance: NBDA; for each of the 2 constituents; based on logKow
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The Koc of this substance has been calculated with EUSES version 2.1, based on logKow, by using the default QSAR model (for non-hydrophobics). The calculated Koc and logKoc values are 33 and 1.52, respectively.
- Endpoint:
- adsorption / desorption
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Study period:
- N/A
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The Koc of the substance has been calculated with the KOCWIN Program (version 2.00), part of EPI Suite. This model is considered reliable by OECD.
- Principles of method if other than guideline:
- The organic carbon-normalized sorption coefficient for soil and sediment; i.e. Koc, has been calculated with the KOCWIN Program (version 2.00), part of EPI Suite. The Koc is estimated using the traditional method based on logKow.
- GLP compliance:
- no
- Type of method:
- other: Calculated
- Type:
- Koc
- Value:
- 2 024
- Remarks on result:
- other: For each of the 2 constituents; calculated with the KOCWIN Program (version 2.00), based on logKow
- Type:
- log Koc
- Value:
- 3.3
- Remarks on result:
- other: For each of the 2 constituents; calculated with the KOCWIN Program (version 2.00), based on logKow
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- As the substance reacts with water, it was technically not feasible to obtain experimental data for Koc (either by OECD 106 or OECD 121). Therefore the Koc of the substance has been calculated with the KOCWIN Program (version 2.00). The calculated Koc and logKoc values are 2024 and 3.3, respectively.
Referenceopen allclose all
Determined in the software program EUSES version 2.1, by using the default QSAR model (for non-hydrophobics).
KOCWIN v2.00 Results:
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 3.81
Non-Corrected Log Koc (0.8679 logKow - 0.0004) ... : 3.3063
Fragment Correction(s) --> NONE : ---
Corrected Log Koc ................................. : 3.3063
Estimated Koc: 2024 L/kg
Description of key information
NBDI: as the substance reacts with water, it was technically not feasible to obtain experimental data for Koc (either by OECD 106 or OECD 121). Therefore the Koc of the substance has been calculated with the KOCWIN Program (version 2.00). The calculated Koc and logKoc values are 2024 and 3.3, respectively.
NBDA: The Koc of this substance has been calculated with EUSES version 2.1, based on logKow, by using the default QSAR model (for non-hydrophobics). The calculated Koc and logKoc values are 33 and 1.52, respectively.
Key value for chemical safety assessment
- Koc at 20 °C:
- 33
Additional information
The key value for CSA is the Koc of NBDA (33 L/kg).
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