4,4'-bis(chloromethyl)-1,1'-biphenyl

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20 June 2016 to 22 June 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source: Provided by sposor
- Lot/batch No.of test material: 150701
- Expiration date of the lot/batch: 14 July 2017

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: - Storage conditions: Controlled room temperature (15-25 ºC, below 70 RH%), protected from humidity, under inert gas.

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

4.61

Temp.:

25 °C

pH:

>= 0 - <= 10

Remarks on result:

other: pH not reported

Key result

Type:

Pow

Partition coefficient:

401 013

Temp.:

25 °C

pH:

>= 0 - <= 10

Remarks on result:

other: pH not reported

Details on results:

The three calibration series and three test item series were measured alternately. The partition coefficient Pow was determined based on a calibration using 7 reference substances.
The capacity factors (k) were calculated from the deadtime and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values. The equation of the curve fitted to the calibration points as follows:

log k = 0.2884 × log Pow - 0.516 (Rsq = 0.9928)

The calculated log Pow is 4.61.

Table 2. Measured and calculated data of test material

Name	Retention time (min)	log k	log Pow	Pow
		Calculated data
Test material	18.61	0.815	4.62	41262
	18.64	0.815	4.62	41528
	18.57	0.813	4.61	40909
	18.57	0.813	4.61	40909
	18.53	0.812	4.61	40559
	18.57	0.813	4.61	40909
Mean	18.58	0.814	4.61	401013
CV%	0.2	-	4.61	-

Conclusions:

Under the conditions of the study, the log Pow was determined to be 4.61

Executive summary:

The partition coefficient of the test material was investigated in accordance to the standardised guidelines OECD 117 and EU method A.8 under GLP conditions.

The three calibration series and three test material series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using 7 reference substances. The capacity factors (k) were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values. Under the conditions of the study, the log Pow was determined to be 4.61

Description of key information

Under the conditions of the study, the log Pow was determined to be 4.61

Key value for chemical safety assessment

Log Kow (Log Pow):

4.61

at the temperature of:

25 °C

Additional information

The partition coefficient of the test material was investigated in accordance to the standardised guidelines OECD 117 and EU method A.8 under GLP conditions. The study was assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).

The three calibration series and three test material series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using 7 reference substances. The capacity factors (k) were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values. Under the conditions of the study, the log Pow was determined to be 4.61