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REACH

2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-nitrobenzonitrile

EC number: 240-923-8 | CAS number: 16889-10-4

Life Cycle description
Uses advised against

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From January 31 to February 01, 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

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

adopted 13 April 2004

Deviations:

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

3.67

Temp.:

25 °C

Remarks on result:

other: 95 % confidence interval

Details on results:

The determined log Pow: 3.67 ± 0.003 (95 % confidence interval).
The estimated Pow: 4624 ± 30.9 (95 % confidence interval).

Quality criteria were met as values of log Pow derived from individual measurements fell within a range of 0.1 log units.

Measured and calculated data of test item

Test Item name	Retention time (min)	log k	log P_ow	P_ow	Repeatability log unit
Test Item name	Retention time (min)	Calculated
Test item	9.7	0.433	3.66	4616	0.007
	9.71	0.434	3.67	4640
	9.69	0.433	3.66	4592
	9.69	0.433	3.66	4592
	9.71	0.434	3.67	4640
	9.72	0.434	3.67	4665
Mean	9.7	0.433	3.67	4624	-
Conf.int.(95 %)	-	-	0.003	30.9	-
CV %	0.12	-	-	-	-

Measured and calculated data of the reference substances

Chemical name	log P_owOECD 117	Retention time (min)	log k Calculated	Repeatability D log Pow log unit	Accuracy log unit	log P_owCalculated
Thiourea	-	2.62	—
		2.62
		2.61
		2.61
		2.61
		2.61
	Mean	2.61
	CV%	0.2
Methyl Benzoate	2.1	5.47	0.039	0.01	0.09	2.2
		5.47	0.039			2.2
		5.46	0.037			2.2
		5.46	0.037			2.2
		5.46	0.037			2.2
		5.46	0.037			2.2
	Mean	5.46	0.038			2.2
	CV%	0.09	-			-
Benzophenone	3.2	7.58	0.279	0.01	0.11	3.1
		7.58	0.279			3.1
		7.56	0.277			3.1
		7.56	0.277			3.1
		7.56	0.277			3.1
		7.56	0.277			3.1
	Mean	7.57	0.278			3.1
	CV%	0.14	-			-
Diphenylamine	3.4	8.36	0.342	0.01	0.08	3.3
		8.35	0.341			3.3
		8.33	0.340			3.3
		8.33	0.340			3.3
		8.33	0.340			3.3
		8.33	0.340			3.3
	Mean	8.34	0.341			3.3
	CV%	0.16	-			-
Naphthalene	3.6	9.27	0.406	0.01	0.04	3.6
		9.27	0.406			3.6
		9.24	0.404			3.6
		9.24	0.404			3.6
		9.24	0.404			3.6
		9.24	0.404			3.6
	Mean	9.25	0.405			3.6
	CV%	0.17	-			-
Phenanthrene	4.5	15.39	0.689	0.01	0.11	4.6
		15.38	0.689			4.6
		15.34	0.688			4.6
		15.34	0.688			4.6
		15.34	0.688			4.6
		15.35	0.688			4.6
	Mean	15.36	0.688			4.6
	CV%	0.15	-			-
Triphenylamine	5.7	30.09	1.022	0	0.15	5.9
		30.09	1.022			5.9
		30.04	1.021			5.9
		30.03	1.021			5.9
		30.05	1.021			5.9
		30.06	1.021			5.9
	Mean	30.06	1.021			5.9
	CV%	0.08	-			-
DDT	6.5	40.62	1.163	0	0.12	6.4
		40.61	1.163			6.4
		40.57	1.162			6.4
		40.57	1.162			6.4
		40.59	1.162			6.4
		40.64	1.163			6.4
	Mean	40.6	1.162			6.4
	CV%	0.07	-			-

Conclusions:

log Pow: 3.67 ± 0.003 (95 % confidence interval), at 25 °C

Executive summary:

The purpose of the study was to determine the partition coefficient of test item using HPLC method. The method and procedures implemented were in accordance with the OECD guideline 117. Three calibration series and three test item series were measured alternately. The partition coefficient Pow was determined based on a calibration curve using seven reference items. 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.

The Pow has been determined to be 4624 ± 30.9 (95 % confidence interval) and the log Pow 3.67 ± 0.003 (95 % confidence interval).

Quality criteria were met as values of log Pow derived from individual measurements fell within a range of 0.1 log units.

Conclusion

log Pow: 3.67 ± 0.003 (95 % confidence interval), at 25 °C

Description of key information

log Pow: 3.67 ± 0.003 (95 % confidence interval), at 25 °C

Key value for chemical safety assessment

Log Kow (Log Pow):: 3.67
at the temperature of:: 25 °C

Additional information

OECD 117 - HPLC method

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