Reaction mass of 1,4-bis(methylamino)anthraquinone and 1,4-bis[(2-ethylhexyl)amino]anthraquinone and 1-[(2-ethylhexyl)amino]-4-(methylamino)anthraquinone and 9,10-Anthracenedione, 1,4-bis(pentylamino)-, branched and linear and 9,10-Anthracenedione, 1-(methylamino)-4-(pentylamino)-, branched and linear and 9,10-Anthracenedione, 1-[(2-ethylhexyl)amino]-4-(pentylamino)-, branched and linear

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

February 20, 2017 to May 10, 2017

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)

Deviations:

no

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Identification: C.I. Solvent Blue 98
Appearance/Physical state: extremely dark blue solid block
Batch: ZA07212016
Purity: 98.0%
Expiry date: 18 July 2019
Storage conditions: room temperature in the dark

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

6.01

Temp.:

30 °C

pH:

6.05

Remarks on result:

other: Mean Log Pow value 5.2% by area. The temperature and pH values are the values from the HPLC System.

Key result

Type:

log Pow

Partition coefficient:

> 6.5

Temp.:

30 °C

pH:

6.05

Remarks on result:

other: Mean Log Pow value 94.8% by area. The temperature and pH values are the values from the HPLC System.

Preliminary Estimate Results:

The log₁₀P_owwas calculated to be:    approximately 11.

Definitive Test Results:

Calibration:

The retention times of the dead time and the retention times, capacity factors (k') and log₁₀P_owvalues for the reference standards are shown in the following tables:

Dead Time	Retention Time (mins)		Mean Retention Time (mins)
	Injection 1	Injection 2
Thiourea	1.594	1.594	1.594

 

Standard	Retention Time (mins)			Capacity Factor (k')	Log10k'	Log10Pow
	Injection 1	Injection 2	Mean
Benzene	3.727	3.727	3.727	1.34	0.127	2.1
Toluene	5.083	5.078	5.080	2.19	0.340	2.7
Naphthalene	6.234	6.229	6.232	2.91	0.464	3.6
Phenanthrene	11.725	11.715	11.720	6.35	0.803	4.5
Triphenylamine	27.483	27.459	27.471	16.2	1.21	5.7
DDT	38.887	38.882	38.885	23.4	1.37	6.5

Partition coefficient of sample:

The retention times, capacity factor and log₁₀P_owvalue determined for the sample are shown in the following table:

Peak	Injection	Retention Time (mins)	Capacity Factor (k')	Log10k'	Log10Pow	Mean Log10Pow	Mean Area %
1	1	29.704	17.6	1.25	6.01	6.01	5.2
	2	29.742	17.7	1.25	6.02
2	1	52.702	32.1	1.51	> 6.5	> 6.5	94.8
	2	52.682	32.1	1.51	> 6.5
3	1	54.038	32.9	1.52	> 6.5	> 6.5
	2	54.004	32.9	1.52	> 6.5
4	1	56.414	34.4	1.54	> 6.5	> 6.5
	2	56.356	34.4	1.54	> 6.5
5	1	59.193	36.1	1.56	> 6.5	> 6.5
	2	59.091	36.1	1.56	> 6.5

 Overall log₁₀P_ow:                   6.01 (5.2% by area) to > 6.5 (94.8% by area)
Overall Partition coefficient: 1.03 x 10⁶(5.2% by area) to > 3.16 x 10⁶(94.8% by area)

Discussion:

The result from the preliminary test indicated that the HPLC method was suitable for determination of partition coefficient for this test item.

Conclusions:

The partition coefficient of the test item has been determined to be 1.03 x 10^6 (5.2% by area) to greater than 3.16 x 10^6 (94.8% by area), log10 Pow 6.01 to > 6.5.

Executive summary:

Partition Coefficient (n-octanol/water). 1.03 x 10⁶(5.2% by area) to greater than 3.16 x 10⁶(94.8% by area), log₁₀P_ow6.01 to > 6.5, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

Description of key information

Partition Coefficient (n-octanol/water). 1.03 x 10⁶(5.2% by area) to greater than 3.16 x 10⁶(94.8% by area), log₁₀P_ow6.01 to > 6.5, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.

Key value for chemical safety assessment

at the temperature of:

30 °C

Additional information

1.03 x 10⁶(5.2% by area) to greater than 3.16 x 10⁶(94.8% by area), log₁₀P_ow6.01 to > 6.5, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.