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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
No data
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
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
Specific details on test material used for the study:
Name of test material (as cited in study report): Methylmorpholine
Analytical purity: 98.4 % (GC)
Key result
Type:
log Pow
Partition coefficient:
-0.32
Temp.:
25 °C
Remarks on result:
other: pH was not adjusted

Study was performed without adjustment of pH value.

Conclusions:
The partition coefficient of the test substance has been determined to be log Pow -0.32 at 25 °C, without adjustment of the pH.
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2011
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
The KOWWIN module in the EPI Suite package is applied, which is considered a suitable estimation tool for this substance.
Qualifier:
no guideline followed
Principles of method if other than guideline:
The Kow of the substance was calculated using the KOWWIN module in the EPI Suite package.
GLP compliance:
no
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
-0.35
Details on results:
The LogKow was calculated by the KOWWIN module in the EPI Suite package to be -0.35. The LogKow available from the experimental database in KOWWIN is -0.33 (Hansch et al., 1995).
Conclusions:
The LogKow was calculated by the KOWWIN module in the EPI Suite package to be -0.35. The LogKow available from the experimental database in KOWWIN is -0.33 (Hansch et al., 1995).

Description of key information

The log Pow of the test substance was determined in a non GLP study according to OECD Guideline 107 to be -0.32 at 25 °C (BASF AG, 1989).

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.32
at the temperature of:
25 °C

Additional information

Although the study was performed without pH adjustment, supporting data from the KOWWIN calculation (EPI Suite package) revealing a LogKow of -0.35 for the uncharged molecule, confirm that the pH of the experimental study is high enough for having predominantly the uncharged molecule in the test solutions. In addition, the LogKow available from the experimental database in KOWWIN is -0.33 (Hansch et al., 1995).