Registration Dossier
Registration Dossier
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EC number: 203-149-1 | CAS number: 103-83-3
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Principles of method if other than guideline:
- no data
- GLP compliance:
- not specified
- Type of method:
- other: no data
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.98
- pH:
- 13
- Remarks on result:
- other: no data on temperature available
- Executive summary:
Benzyldimethylamine has a log Pow of 1.98 (Hansch, 1995).
Reference
only neutral form measured, no data on temperature
Description of key information
N,N-dimethylbenzylamine has an experimentally determined log Kow of 1.98 under its non-ionised form at pH13 (Hansch, 1995).
Low potential for bioaccumulation (based on CLP cut-off value for aquatic chronic toxicity: logKow <4)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.98
- at the temperature of:
- 25 °C
Additional information
Five reliable literature data sources were identified, and provide consistent logKow values, ranging between 1,54 and 1,98. However, in most of them, the information of pH was missing, so they were regarded as Supporting data only, due to pKa falling into the environmentally-relevant pH range (pKa = 8,9; see IUCLID section 4.21).
Hansch (1995) was selected as Key, as specified to be experimentally determined, at a pH of 13, therefore corresponding to the non-ionised form, according to logKow definition. It is also the highest, therefore worst-case value.
The magnitude of order for the non-ionised form was confirmed by QSAR prediction (BFS, 2023), but as the result was lower than in the publication from Hansch, it was kept as Supporting too.
It should be highlighted that this strategy answers regulatory requirements (i.e. logKow corresponding to the non-ionised form).
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