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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Adsorption / desorption

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption, other
Remarks:
adsorption/desorption QSAR
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2010-08-02
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: 10.7; log Kow: 1.9
Type:
Koc
Remarks:
(pH 7)
Value:
928
Temp.:
25 °C
Remarks on result:
other: log Koc = 2.97
Validity criteria fulfilled:
not applicable
Conclusions:
The adsorption coefficient of 3-aminomethyl-3,5,5-trimethylcyclohexylamine corrected for dissociation was calculated with a QSAR published by Franco and Trapp (2008). The result was Koc = 928, log Koc = 2.97 (pH 7).
Executive summary:

The adsorption coefficient of 3-aminomethyl-3,5,5-trimethylcyclohexylamine corrected for dissociation was calculated with a QSAR published by Franco and Trapp (2008). The result was Koc = 928, log Koc = 2.97 (pH 7).

Description of key information

The adsorption coefficient of 3-aminomethyl-3,5,5-trimethylcyclohexylamine corrected for dissociation was calculated with a QSAR published by Franco and Trapp (2008). The result was Koc = 928, log Koc = 2.97 (pH 7), indicating that the sorption potential of 3,3,5-trimethylcyclohexanone to soil or sediment organic matter is expected to be moderate (Blume scale).

Key value for chemical safety assessment

Koc at 20 °C:
928

Additional information