Dodecyltrimethylammonium bromide

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2018-05-23 to 2019-

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

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:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Key result

Type:

log Pow

Partition coefficient:

>= -1.6 - <= -1.2

Temp.:

20 °C

pH:

>= 4.3 - <= 4.6

Preliminary Test

The preliminary test at room temperature showed, that the octanol solubility of the test item was in the range of 20.3 g/L and 61.0 g/L.

 Table1: Preliminary test for the octanol solubility

Amount of test item [mg]	Total volume of added octanol [mL]	Stirring time at RT [min]	Remark
610	10	30	not dissolved
	30	30	dissolved

 

With the water solubility of >954 g/L, determined in the water solubility study, and the solubility in octanol of 20.3 to 61.0 g/L, determined from this preliminary test, the partition coefficient log POW was estimated to be between -1.2 and -1.6.

For the determination of the log POW in this range the shake flask method is recommended.

In the course of the water solubility study it was observed that the test item/water mixtures could not be stirred anymore and clear jellylike masses were formed. Since no homogenization of the mass could be assured, no analytical measurements of the masses were performed. In addition, based on the surfactant properties of the test item, the phase separation between octanol and water was expected to be influenced. Thus, no main test was performed and an estimation of the partition coefficient octanol water was performed.

According to OECD Test Guidelines 107 (1995) and 117 (2004) the partition coefficient log POW can be estimated from the solubilities in 1-octanol and water. The partition coefficient of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be logPOW = -1.6 to -1.2.

Conclusions:

The partition coefficient of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be logPOW = -1.6 to -1.2.

Executive summary:

A study according to OECD 107 and EU Method A.8 was performed to determine the partition coefficient octanol/water of the test item. In the water solubility study was determined that the test item forms a jellylike solution when mixed with water which made the analytical measurements inapplicable. Therefore, the partition coefficient of the test item was estimated using the equation:

Pow = c(1–octanol)/c(water).

The water solubility of >954 g/L, determined in the water solubility study, and the solubility in octanol of 20.3 to 61.0 g/L, determined in this study, were used for the estimation of the partition coefficient.

According to OECD Test Guidelines 107 (1995) and 117 (2004) the partition coefficient log POW can be estimated from the solubilities in 1-octanol and water. The partition coefficient of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be logPOW = -1.6 to -1.2.

Description of key information

The partition coefficient octanol/water of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be logPOW = -1.6 to -1.2.

Additional information

A study according to OECD 107 and EU Method A.8 was performed to determine the partition coefficient octanol/water of the test item. In the water solubility study was determined that the test item forms a jellylike solution when mixed with water which made the analytical measurements inapplicable. Therefore, the partition coefficient of the test item was estimated using the equation:

Pow = c(1–octanol)/c(water).

The water solubility of >954 g/L, determined in the water solubility study, and the solubility in octanol of 20.3 to 61.0 g/L, determined in this study, were used for the estimation of the partition coefficient.

According to OECD Test Guidelines 107 (1995) and 117 (2004) the partition coefficient log POW can be estimated from the solubilities in 1-octanol and water. The partition coefficient of the test item was estimated on the basis of the water solubility and of the 1-octanol solubility to be logPOW = -1.6 to -1.2 (reference 4.7-1).