Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2011.05
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
The study was conducted according to an internationally recognised method, and under GLP. No deviation was reported. Substance ID is adequately specified with purity. Therefore full validation applies.
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
not specified
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2008
Deviations:
not specified
GLP compliance:
yes (incl. QA statement)
Remarks:
Swiss Federal Office of Public Health (inspected on May 04-05, 2009 / signed on September 01, 2009
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Storage conditions: between 0 and 10°C under nitrogen
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.55
Temp.:
30 °C
pH:
6
Type:
log Pow
Partition coefficient:
3.41
Temp.:
30 °C
pH:
6

Preliminary estimate by KowWin calculation:

Pow = 2820

log Pow = 3.45

The partition coefficient was calculated with the equations of

LogPow = slope x log K + intercept  (1)

K = (tr – to) / to                                (2)

      K: capacity factor; tr: retention time; to: dead time.

The mean value of five testing results was taken as the final result.

The substance elutes as two peaks:

Isomer 1: log Pow = 3.41

Isomer 2: log Pow = 3.55

Conclusions:
The partition coefficient (log Pow) of the test substance was determined to be 3.55 (30°C, pH6).
Executive summary:

The partition coefficient of the test substance was measured under GLP according to the OECD 117/EU A8 guideline, HPLC method. The system was calibrated with six reference substances, and quintuplicate


determination was performed for the test item. The substance elutes in two peaks, the higher result was retained as a worst-case.


Partition coefficient (log Pow) = 3.55 (30°C, pH6).

Description of key information

The partition coefficient (log Pow) of the test substance was determined to be 3.55 (30°C, pH6).

Key value for chemical safety assessment

Log Kow (Log Pow):
3.55
at the temperature of:
30 °C

Additional information

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