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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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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:
from 2015-12-02 to 2015-12-03
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
< -3.88
Temp.:
20 °C
Remarks on result:
other: The test substance is zwitterionic. Therefore, the test substance dissociates at any pH. The pH was not determined.

The solubilty in n-octanol was < 0.1 g/L at 20 °C, while the solubility in water was 758.7 g/L at 20 °C. The log Pow was estimated by the ratio of the solubilities (without pH correction) as < -3.88.


As the experimentally log Pow was outside of the ranges of the shake flask (log Pow: -2 - 4) and HPLC (log Pow: 0 - 6) method, no further test were performed.

Conclusions:
The log Pow of the test item was determined to be < -3.88 at 20 °C.
Executive summary:

The octanol-water partition coefficient of the registered substance was determined in an experimental study under GLP conditions according to OECD Test Guideline 107 using the shake flask method. The test substance is zwitterionic. Therefore, the test substance dissociates at any pH. Consequently, the partition coefficient of the non-dissociated substance cannot be determined. The solubilty in n-octanol was < 0.1 g/L at 20 °C, while the solubility in water was 758.7 g/L at 20 °C. The log Pow was estimated by the ratio of the solubilities (without pH correction) as < -3.88. As the experimentally log Pow was outside of the ranges of the shake flask (log Pow: -2 - 4) and HPLC (log Pow: 0 - 6) method, no further test were performed.

Description of key information

The log Pow of the test item was determined to be < -3.88 at 20 °C (reference 4.7-1).

Key value for chemical safety assessment

Additional information

The octanol-water partition coefficient of the registered substance was determined in an experimental study under GLP conditions according to OECD Test Guideline 107 using the shake flask method. The test substance is zwitterionic. Therefore, the test substance dissociates at any pH. Consequently, the partition coefficient of the non-dissociated substance cannot be determined. The solubility in n-octanol was < 0.1 g/L at 20 °C, while the solubility in water was 758.7 g/L at 20 °C. The log Pow was estimated by the ratio of the solubilities (without pH correction) as < -3.88. As the experimentally log Pow was outside of the ranges of the shake flask (log Pow: -2 - 4) and HPLC (log Pow: 0 - 6) method, no further test were performed.