Quaternary ammonium compounds, (C16-18 and C18-unsatd. alkyl)trimethyl, chlorides

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

Guideline compliant water solubility and solubility in organic solvent studies were used for the calulation of Log Kow. Individual solubilities i.e., octanol solubility was divided by the value of water solubility/CMC and the Log of this value would correspond to Log Kow

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Principles of method if other than guideline:

Since the test substance is a surface active material, the partition coefficient was determined by the estimation method using the n-octanol solubility of the test substance and the critical micelle concentration.

GLP compliance:

yes

Type of method:

other: estimated data (octanol solubility was divided by the value of water solubility/CMC and the Log of this value would correspond to Log Kow)

Partition coefficient type:

octanol-water

Key result

Type:

Pow

Partition coefficient:

2 428.6

Temp.:

25 °C

Remarks on result:

other: calculated based on individual solubility

Key result

Type:

log Pow

Partition coefficient:

3.38

Temp.:

25 °C

Remarks on result:

other: calculated based on individual solubility

Details on results:

Under the test conditions, the octanol solubility of the test substance was determined to be 340 g/L in 1-octanol.
Under the conditions of the study, the water solubility (critical micelle concentration) of the test substance was determined to be 0.14 g/L or 140 mg/L at 25°C.

The Pow, calculated as the quotient of the n-octanol- and critical micelle concentration, is 2428.6. It corresponds with a log Pow value of 3.38.

See above results and discussion for details

Conclusions:

Under the study conditions, the partition coefficient (Pow) of the test substance was determined to be 2428.6 at 25°C. This corresponds to a log Pow value of 3.38.

Executive summary:

The partition coefficient of the test substance, TMAC T (purity not specified) was determined using an estimation method involving the solubility in n-octanol and in water (CMC). For surface active substance the critical micelle concentration (CMC) was used as an alternative to the water solubility. The octanol solubility of the test substance was determined to be 340 g/L in 1-octanol and the water solubility (critical micelle concentration) of the test substance was determined to be 0.14 g/L or 140 mg/L at 25°C. Under the study conditions, the partition coefficient (Pow) of the test substance was determined to be 2428.6 at 25°C. This corresponds to a log Pow value of 3.38) (Akzo nobel, 2012).

Description of key information

The partition coefficient of the test substance was determined using an estimation method involving the solubility in n-octanol and in water (CMC) (Börjesson, 2012; Farnback, 2012).

Key value for chemical safety assessment

Log Kow (Log Pow):

3.38

at the temperature of:

25 °C