Disodium ar,ar'-[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[(4-chlorophenoxy)benzenesulphonate]

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

April from 23 to 27, 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

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

Reason / purpose for cross-reference:

reference to other study

Remarks:

validation of analytical method

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

adopted on 27 July 1995

Qualifier:

according to guideline

Guideline:

other: OECD guideline 105 (Water Solubility)

Version / remarks:

adopted on 27 July 1995

GLP compliance:

yes (incl. QA statement)

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

Pow

Partition coefficient:

0.022

Temp.:

20 °C

pH:

ca. 8

Type:

log Pow

Partition coefficient:

-1.66

Temp.:

20 °C

pH:

ca. 8

Details on results:

SOLUBILITY IN OCTANOL
The mean solubility of test item in n-octanol was determined to be 0.355 g/l at 20 °C with 0.56 % of RSD. The pH of the samples were recorded as 8.32, 8.34 and 8.32 during the experimental phase.

SOLUBILITY IN WATER
The mean solubility of test item in milli-Q water was determined to be 16.143 g/l at 20 °C with 0.84 % of RSD. The pH of samples were recorded as 8.04, 8.06 and 8.06 during the experimental phase.

DETERMINATION OF SOLUBILITY OF TEST ITEM IN n-OCTANOL

Dilution Factor	pH	Conc. obtained (g/l)	Mean conc. obtained (g/l)	± SD	% RSD
1000	8.32	0.357	0.355	0.002	0.56
1000		0.357
1000	8.34	0.352
1000		0.355
1000	8.32	0.354
1000		0.354

DETERMINATION OF SOLUBILITY OF TEST ITEM IN WATER

Dilution Factor	pH	Conc. obtained (g/l)	Mean conc. obtained (g/l)	± SD	% RSD
50000	8.04	16.23	16.143	0.136	0.84
50000		16.21
50000	8.06	16.20
50000		16.27
50000	8.06	15.96
50000		15.98

Conclusions:

log Pow: -1.66 at 20 °C and pH ca 8

Executive summary:

The Partition Coefficient of the test item was determined from individual solubilities in n-octanol and water, in accordance with the OECD guideline No. 107 and OECD guideline No. 105. The assay was performed in triplicate at 20 °C. The concentration in the water and octanol phases was determined by a validated HPLC-UV method.

The mean solubility of test item in n-octanol was determined to be 0.355 g/l at 20 °C with 0.56 % of RSD; the pH of the samples were recorded as 8.32, 8.34 and 8.32 during the experimental phase. The mean solubility of test item in milli-Q water was determined to be 16.143 g/l at 20 °C with 0.84 % of RSD; the pH of samples were recorded as 8.04, 8.06 and 8.06 during the experimental phase.

The partition coefficient (Pow) was calculated from the ratio of solubility in n-octanol and milli-Q water and resulted to be 0.022 (corresponding to log Pow of -1.66) at 20 °C and pH ca 8.

Conclusion

log Pow: -1.66 at 20 °C and pH ca 8

Pow: 0.022 at 20 °C and pH ca 8

Description of key information

log Pow: -1.66 at 20 °C and pH ca 8

Key value for chemical safety assessment

Log Kow (Log Pow):

-1.66

at the temperature of:

20 °C

Additional information

OECD 107/105 - estimation method (solubility ratio)