Reaction products of 2,4,6-trichloro-1,3,5-triazine copuled with 3-aminopropyldiethylamine, coupled with 3-acetamidoanilinium chloride, diazotised, coupled with 2,5-Xylidine, coupled with 3-amino-4-hydroxybenzenesulphonamide, further coupled with resorcinol and metallized with iron chloride.

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

October from 12 to 15, 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

test procedure in accordance with generally accepted scientific standards and described in sufficient detail

Remarks:

although the log Pow value is out of the testing method applicability domain, the results can be considered as suitable and well representative for the substance under investigation

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Version / remarks:

adopted July 27, 1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

photometric method

Type:

log Pow

Partition coefficient:

-2.1

Temp.:

20 °C

pH:

ca. 4

Type:

Pow

Partition coefficient:

0.008

Temp.:

20 °C

pH:

ca. 4

Calculated partition coefficient (Pow) and log Pow

Ratio of solvents (n-octanol : Water)	Partition coefficient		Log Partition coefficient		pH conditions
	Pow	Mean	Log Pow	Mean	Mean
10 : 1	0.0062	0.0065	-2.21	-2.19	4.02
	0.0074		-2.13
	0.0059		-2.23
5 : 1	0.0114	0.0114	-1.94	-1.94	3.96
	0.0111		-1.95
	0.0116		-1.94
20 : 1	0.0063	0.0063	-2.2	-2.2	4.21
	0.0066		-2.18
	0.0059		-2.23
Mean all ±95 % confidence interval	0.0081 ± 0.0020	-	-2.11	-	-

Measured concentrations

Ratio of solvents (n-octanol : Water)	Measured concentration in n-octanol phase (µg/ml)	Measured concentration in aqueous phase (µg/ml)	pH
10 : 1	0.55	87.8	4.02
	0.69	93.1
	0.53	89.5
Mean	0.59	90.1
RSD %	15	3	-
Measured quantity of test item (Mo; Mw)	25.6 µg	396 µg	-
Total nominal quantity of test item (Ms)	416 µg
Total quantity of test item (Mo+Mw) in the two-phase system	422 µg
Recovery	101 %
5 : 1	0.57	49.6	3.96
	0.52	46.6
	0.58	49.7
Mean	0.55	48.7
RSD %	6	4	-
Measured quantity of test item (Mo; Mw)	22.2 µg	389 µg	-
Total nominal quantity of test item (Ms)	416 µg
Total quantity of test item (Mo+Mw) in the two-phase system	411 µg
Recovery	99 %
20 : 1	1.11	174	4.21
	1.15	175
	1.06	179
Mean	1.11	176
RSD %	4	2	-
Measured quantity of test item (Mo; Mw)	50.5 µg	405 µg	-
Total nominal quantity of test item (Ms)	416 µg
Total quantity of test item (Mo+Mw) in the two-phase system	456 µg
Recovery	109 %

Conclusions:

log Pow: -2.1 at 20 °C and pH ca 4

Executive summary:

The partition coefficient of the test item was determined using shake-flask method, in accordante with the method and procedures outlined into the OECD guideline 107. The concentration in the aqueous and octanol phases was determined by spectophotometric validate method. On the basis of the preliminary assay, the value of the partition coefficient was estimated to be 0.0004, which corresponds to log Pow of -3.4.

Three experiments were carried out applying different solvent ratios. In the first experiment, the calculated volume ratio was applied, in the second, this ratio is divided by two and in the third, this ratio is multiplied by two. Test temperature was 20 ± 1 °C. Three parallel tests were carried out.

The partition coefficient (Pow) in n-octanol - water was determined to be 0.0081 ± 0.0020 (95 % confidence interval) at 20 °C and pH ~4, which corresponds to log Pow of -2.1 using the shake flask method.

Conclusion

log Pow: -2.1 at 20 °C and pH ca 4

Description of key information

log Pow: -2.1 at 20 °C and pH ca 4

Key value for chemical safety assessment

Log Kow (Log Pow):

-2.1

at the temperature of:

20 °C

Additional information

OECD 107 - Shake-flask method