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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study well documented, meets generally accepted scientific principles
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
not specified
Type:
log Pow
Partition coefficient:
< -2.25
Temp.:
25 °C
Remarks on result:
other: Trimethylamine part of the salt
Type:
log Pow
Partition coefficient:
< -3.4
Temp.:
25 °C
Remarks on result:
other: Chloride part of the salt
Details on results:
No further details available.

The study was performed without adjustment of pH value.

Conclusions:
The study reports describes a reliable key information, without GLP compliance. The measurement is valid, since the procedure was equivalent / similar to OECD Guideline 107.
Executive summary:

The partition coefficient was for the test substance was investigated according to a testing procedure which can be evaluated as equivalent or similar to the OECD Guideline 107 (BASF AG, 1988). The shake-flask method was used to determine the octanol-water coefficient (logPow) for the trimethylamine part as well as for the chlorine part of the salt. No pH adjustment was performed. Nitrogen and chloride were monitored individually in both phases and the surrounding temperature was 25 °C. For the trimethylamine part, the logPow was detected as < - 2.25 and for the chloride part of the salt the coefficient was determined as < -3.4.

Description of key information

Shake-flask method: logPow < -2.25 (Trimethylamine part); logPow < -3.4 (Chloride part)

QSAR prediction (logPow): -2.73

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.25
at the temperature of:
25 °C

Additional information

The key value is given by an experimental result (Key study 1, 1988), equivalent to OECD Guideline 107.

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