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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
11-Nov-2014 to 15-Nov-2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. QA statement)
Remarks:
Staatliches Gewerbeaufsichtsamt Hildeshelm
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
>= 2.43 - <= 2.9
Temp.:
22.8 °C
Remarks on result:
other: HPLC method; range of two isomers

Results of Test Item Analysis

Retention time data and calculated log k values for the two isomer signals of the test item. 

Two individual log Pow values for each isomer were derived under consideration of the first and second calibration. Finally, a mean value was calculated from the individual log Pow values for each isomer.

Retention Times, Capacity Factors and Partition Coefficients of the test item, Isomer 1

Test item:

Isomer 1

tR (min)

k

Log k

Log Pow

5.368

8.886

0.949

1st calibration

2nd calibration

5.368

8.886

0.949

2.43 + 0.07

2.25 to 2.61 (95% CI)

2.43 + 0.07

2.25 to 2.61 (95% CI)

Mean

5.368

8.886

0.949

2.43

 

Retention Times, Capacity Factors and Partition Coefficients of the test item, Isomer 2

Test item:

Isomer 2

tR(min)

k

Log k

Log Pow

8.372

14.418

1.159

1st calibration

2nd calibration

8.372

14.418

1.159

2.90 + 0.09

2.68 to 3.12 (95% CI)

2.90 + 0.09

2.68 to 3.12 (95% CI)

Mean

8.372

14.418

1.159

2.90

 

tR: Retention time

k: Capacity factor test item

Pow : Partition Coefficient (n-octanol / water)

CI : Confidence Interval

 

Conclusions

Two individual log Pow values for the two isomers of the test item were derived under consideration of the first and second calibration. A mean value was calculated from these individual log Pow values. Based on these data, log Pow values of 2.43 and 2.90 were determined for isomer 1 and isomer 2 respectively.

Summarized results of the partition coefficients of the test item

 

Log Pow

 

1stcalibration

2ndcalibration

Mean

Isomer 1

2.43 + 0.07

2.25 to 2.61 (95% CI)

2.43 + 0.07

2.25 to 2.61 (95% CI)

2.43

Isomer 2

2.90 + 0.09

2.68 to 3.12 (95% CI)

2.90 + 0.09

2.68 to 3.12 (95% CI)

2.90

 

 

Conclusions:
A log Pow range of 2.43 to 2.9 (at 22.8 °C) was determined for the two isomers of the test substance according to OECD 117 (2004).

Description of key information

Log Pow: 2.43 and 2.9 (at 22.8 °C) for the two isomers of the substance (EU Method A.8, HPLC method).

Key value for chemical safety assessment

Additional information

A log Pow range of 2.43 to 2.9 (at 22.8 °C) was determined for the two isomers of the test substance using HPLC method according to OECD 117 (2004).