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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
26 October 2017 - 09 March 2018
Reliability:
1 (reliable without restriction)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
0.435
Temp.:
22.5 °C
pH:
2.8
Conclusions:
The partition coefficient of the test item has been determined to be 2.83 at 22.5 ± 1.0 °C, log10 Pow 0.435.
Executive summary:

Due to the possible hydrolysis of the test item during testing, determination of the partition

coefficient by the HPLC estimation method (OECD 117) was evaluated first. However the

test item was determined to be at the very extreme of the method domain, and therefore the

shake-flask method was employed to ensure definitive quantification of the partition

coefficient of the test item.

Although the test item contained no relevant dissociating functional groups, when a single

trial flask intended to aid experimental design of the main test was performed at a neutral,

unadjusted pH, negligible concentration of test item was detected in the aqueous phase and

the overall mass balance recovery was low. Both of these events were attributed to

hydrolysis of the test item’s ester functional group in aqueous media. Therefore, for the

definitive test, the test system was acidified to minimize any base catalyzed hydrolysis of the

test item. From the reported test, the outcome from this corrective step was satisfactory, with

a mean mass balance recovery of 98.5% being obtained. In addition, as all individual

log10 Pow values were within ± 0.3 units of the mean, this quality criterion of the regulatory

methods was also satisfied.

The partition coefficient of the test item has been determined to be 2.83 at 22.5 ± 1.0 °C, log10 Pow 0.435.

Description of key information

The partition coefficient of the test item has been determined to be 2.83 at 22.5 ± 1.0 °C, log10 Pow 0.435.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.435
at the temperature of:
22.5 °C

Additional information