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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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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:
2002-2003
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Study was carried out according to generally valid and internationally accepted testing guidelines and under GLP. The substance is considered to be adequately characterised. Therefore full validation applies.
Reason / purpose for cross-reference:
reference to other study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
1989
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
1992
Deviations:
no
Principles of method if other than guideline:
An estimate of the maximum solubility of the test item in n-octanol was performed by mixing the test item with different amounts of n-octanol for approximately 1 hour at room temperature away from light. After shaking a visual assessment of solubility was made. The solubility in water of the test item was previously determined (7775-09-9, Water solubility, Groult, 2004, RS-28186 PSE).
GLP compliance:
yes
Type of method:
estimation method (solubility ratio)
Remarks:
preliminary test, estimation method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
< -2.9
Temp.:
20 °C
Remarks on result:
other: pH not provided
Type:
Pow
Partition coefficient:
< 0.001
Temp.:
20 °C
Remarks on result:
other: pH not provided
The solutions of the test item in n-octanol were all saturated. The preliminary test indicated that the test item was weakly soluble in n-octanol
(< 1 g/L).   
Estimation based on the individual solubilities of the test item in n-octanol and water:
Pow = Coctanol / Cwater: < (1/717) this is < 0.001and log Pow < -2.9. The HPLC method or shake-flask method were not applicable (log Pow < -2.9) at 20 degrees Celcius.Consequently, the test was considered to be complete. No data on pH and no buffer solution was used.
Conclusions:
Pow < 0.001 and log Pow < -2.9
Executive summary:

The partition coefficient of test item was determined acccording to OECD guideline 117 / EU method A.8 based on the estimation method (solubility ratio) and under GLP.

Water solubility was determined in section 4.8 as 717 g/L at 20°C and n-octanol solubility was determined as < 1g/L by visual assessment of mixing solutions of test item in n-octanol at different concentrations after shaking for approximately 1 hour at room temperature away from light. Finally, the partition coefficient of the test item was determined as log Pow < -2,9.

This data is considered as a key data.

Description of key information

Pow< 0.001 and

log Pow< -2.9

Weakly soluble in n-octanol

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.9
at the temperature of:
20 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. It is considered as a key study.