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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
29 July 2016- 23 September2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
under GLP
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Name: MEP
CAS No: C7H16NBr
Molecular weight: 194.11
Purity: 99.3
Batch number: 2108-97-01
Expired date March 2018
Easily soluble in water
Stablilty: stable (light and water)
Supplier: Bromine Compounds
Storage: this substance is highly hygroscopic. Keep tightly closed.
Analytical method:
liquid chromatography
mass spectrometry
Key result
Type:
Pow
Partition coefficient:
0
Temp.:
25 °C
Remarks on result:
not measured/tested
Remarks:
pH not measured
Key result
Type:
log Pow
Partition coefficient:
-3.34
Temp.:
25 °C
Remarks on result:
not measured/tested
Remarks:
pH not measured
Details on results:
With volume ratio (20:2) of n-octanol to water, the log Pow values were as -3.26 and -3.49
With volume ratio (40:2) of n-octanol to water, the log Pow values were as -3.34 and -3.20
With volume ratio (80:2) of n-octanol to water, the log Pow values were as -3.42 and -3.35
The six log Pow values fall within the allowed range of ± 0.3 units, then the mean log Pow value was -3.34

Conclusions:
At temperature of 25°C, the partition coefficient (Pow) of the test item is 4.63E-04 and and the log Pow is -3.34
Executive summary:

In this study the partition coefficient of test item in octanol water system was determined by shake flask method.

value ratios of n-octanol to water were as in the below respectively.

The study was conducted at 25 °C and partition coeficient was calculated based on concentrations of the test item in n-octanol and water phases when reached partition equillibrium.

Concentrations of samples were analyzed on LC/MS/MS.

With volume ratio (20:2) of n-octanol to water, the log Pow values were as -3.26 and -3.49

With volume ratio (40:2) of n-octanol to water, the log Pow values were as -3.34 and -3.20

With volume ratio (80:2) of n-octanol to water, the log Pow values were as -3.42 and -3.35

The six log Pow values fall within the allowed range of ± 0.3 units, then the mean log Pow value was -3.34

At temperature of 25°C, the partition coefficient (Pow) of the test item is 4.63E-04 and and the log Pow is -3.34

Description of key information

At temperature of 25°C, the partition coefficient (Pow) of the test item is 4.63E-04 and and the log Pow is -3.34

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.34
at the temperature of:
25 °C

Additional information