N1,N2-dimethyl-N1-{2-[methyl(propan-2-yl)amino]ethyl}-N2-(propan-2-yl)ethane-1,2-diamine

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2020

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)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

-2.25

Temp.:

22.5 °C

pH:

7

Key result

Type:

log Pow

Partition coefficient:

0.27

Temp.:

22.5 °C

pH:

9

Conclusions:

For pH 4, no test item could be determined for the octanol phase and thus no partition coefficient could be calculated. Taking the LOQ level (850 µg/L) into account, it can be concluded, that the partition coefficient is below a value of -3.9.

For pH 7, the values for the different n-octanol : buffer ratio were inhomogeneous and thus not fulfilling the validity criterion. The pH value of the aqueous phases did differ as well, with higher pH values for the runs with the most test item in the respective system. The partition coefficient correlates strongly with the pH value of this aqueous phase showing a higher partition coefficient at higher pH values, verifying a strong dependency of the partition coefficient from the pH.
pH 7 : log Pow - 2.25

For pH 9, the six determined log POWvalues did not differ for more than 0.13, fulfilling the validity criterion (log POWshould not differ for more than 0.3).
pH 9 : log Pow 0.27

Executive summary:

For pH 4, no test item could be determined for the octanol phase and thus no partition coefficient could be calculated. Taking the LOQ level (850 µg/L) into account, it can be concluded, that the partition coefficient is below a value of -3.9.

For pH 7, the values for the different n-octanol : buffer ratio were inhomogeneous and thus not fulfilling the validity criterion. The pH value of the aqueous phases did differ as well, with higher pH values for the runs with the most test item in the respective system. The partition coefficient correlates strongly with the pH value of this aqueous phase showing a higher partition coefficient at higher pH values, verifying a strong dependency of the partition coefficient from the pH.

pH 7 : log Pow - 2.25

For pH 9, the six determined log P_OWvalues did not differ for more than 0.13, fulfilling the validity criterion (log P_OWshould not differ for more than 0.3).

pH 9 : log Pow 0.27

Description of key information

For pH 4, no test item could be determined for the octanol phase and thus no partition coefficient could be calculated. Taking the LOQ level (850 µg/L) into account, it can be concluded, that the partition coefficient is below a value of -3.9.

For pH 7, the values for the different n-octanol : buffer ratio were inhomogeneous and thus not fulfilling the validity criterion. The pH value of the aqueous phases did differ as well, with higher pH values for the runs with the most test item in the respective system. The partition coefficient correlates strongly with the pH value of this aqueous phase showing a higher partition coefficient at higher pH values, verifying a strong dependency of the partition coefficient from the pH.

pH 7 : log Pow - 2.25

For pH 9, the six determined log P_OWvalues did not differ for more than 0.13, fulfilling the validity criterion (log P_OWshould not differ for more than 0.3).

pH 9 : log Pow 0.27

Key value for chemical safety assessment

Log Kow (Log Pow):

-2.25

at the temperature of:

22.5 °C