alkoxy substituted aryl diazo heterocyclic aryl nitrile

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

January 21, 2015 - January 22, 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

4.7

Temp.:

25 °C

pH:

5.8

Results:

Table 2: Determination of the dead time t₀

Dead time marker	tR / min 1. measurement	tR / min 2. measurement	tR / min mean
Formamide	2.51	2.51	2.51

Dead time:     t₀ = 2.51 min

Table 3: Calibration data 1^st injection

Calibration substance	tR / min	k	log k	log POW^1)
4-Acetylpyridine	2.88	0.15	-0.83	0.5
Benzonitrile	3.46	0.38	-0.42	1.6
4-Chloroaniline	3.60	0.44	-0.36	1.8
Atrazine	4.87	0.94	-0.03	2.6
2,3-Dichloroaniline	4.93	0.97	-0.01	2.8
Diphenylamine	7.50	1.99	0.30	3.4
2,6-Diphenylpyridine	19.51	6.78	0.83	4.9
Triphenylamine	43.46	16.33	1.21	5.7

¹⁾OECD guideline 117, adopted 2004

Regression:        

                           Parameters:        a = 2.692

                                                        b = 2.553

                                                        r²= 0.9978

 

Table 4: log P_OW of the test item – 1^st injection

Test item	tR/ min	k	log k	log POW
Disperse Yellow DYLA 1306	18.27	6.29	0.80	4.7

Table 5: Calibration data 2^nd injection

Calibration substance	tR / min	k	log k	log POW^4)
4-Acetylpyridine	2.88	0.15	-0.83	0.5
Benzonitrile	3.45	0.38	-0.42	1.6
4-Chloroaniline	3.59	0.43	-0.36	1.8
Atrazine	4.86	0.94	-0.03	2.6
2,3-Dichloroaniline	4.92	0.96	-0.02	2.8
Diphenylamine	7.49	1.99	0.30	3.4
2,6-Diphenylpyridine	19.51	6.78	0.83	4.9
Triphenylamine	43.56	16.37	1.21	5.7

⁴⁾OECD guideline 117, adopted 2004

Regression:        

                           Parameters:        a = 2.697

                                                        b = 2.547

                                                        r²= 0.9978

Table 6: log P_OWof the test item – 2^nd injection

Test item	tR/ min	k	log k	log POW
Disperse Yellow DYLA 1306	18.34	6.31	0.80	4.7

Conclusions:

The partition coefficient n-octanol/water of the test item Disperse Yellow DYLA 1306 was found to be 4.7

Executive summary:

The partition coefficient n-octanol/water of the test item Disperse Yellow DYLA 1306 was determined according to the HPLC method described in the European Commission Regulation (EC) No. 440/2008.

It was found to be:

log P_OW= 4.7

Description of key information

The partition coefficient of the test item was determined by the HPLC method according to the European Commission Regulations (EC) No. 440/2008,
A.8. partition coefficient n-octanol/water and according to the OECD test guideline, OECD 117, HPLC Method.

Key value for chemical safety assessment

Log Kow (Log Pow):

4.7

at the temperature of:

25 °C

Additional information

The partition coefficient n-octanol/water of the test item Disperse Yellow DYLA 1306 was determined according to the HPLC method described in the European Commission Regulation (EC) No. 440/2008.

It was found to be:

log P_OW= 4.7