Registration Dossier
Registration Dossier
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EC number: 247-063-2 | CAS number: 25513-64-8
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption/desorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2010-10-29
- 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:
- QSAR calculation
- GLP compliance:
- no
- Remarks:
- (not applicable)
- Type of method:
- other: QSAR calculation
- Media:
- soil
- Computational methods:
- QSAR calculation according to Franco F and Trapp S (2008). Estimation of the soil-water partition coefficient normalized to organic carbon for ionizable organic chemicals. Environ. Toxicol. Chem. 27 (10), 1995-2004.
Input data: pKa: 10.36; log Kow: -0.3 - Type:
- Koc
- Remarks:
- (pH 7)
- Value:
- 25
- Temp.:
- 25 °C
- Remarks on result:
- other: log Koc = 1.40
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The adsorption coefficient of 2,2,4(or 2,4,4)-trimethylhexane-1,6-diamine corrected for dissociation was calculated with a QSAR published by Franco and Trapp (2008). The result was Koc = 25, log Koc = 1.40 (pH 7), corresponding to a very low potential for geoaccumulation (Blume scale).
- Executive summary:
The adsorption coefficient of 2,2,4(or 2,4,4)-trimethylhexane-1,6-diamine corrected for dissociation was calculated with a QSAR published by Franco and Trapp (2008). The result was Koc = 25, log Koc = 1.40 (pH 7), corresponding to a very low potential for geoaccumulation (Blume scale).
Reference
Description of key information
The adsorption coefficient of 2,2,4(or 2,4,4)-trimethylhexane-1,6-diamine corrected for dissociation was calculated with a QSAR published by Franco and Trapp (2008). The result was Koc = 25, log Koc = 1.40 (pH 7), corresponding to a very low potential for geoaccumulation (Blume scale).
Key value for chemical safety assessment
- Koc at 20 °C:
- 25
Additional information
LogKoc: 1.4
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