Benzenamine, 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis-

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The study was conducted in compliance with the EU Method No. A.8 for the determination of physicochemical properties, Directive 97/69/EEC (OJ No. L383A, 29.12.92), and the OECD Guidelines for Testing of Chemicals No. 117.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2008

Report date:

2008

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

The Department of Health of the Government of the United Kingdom

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

3-{[4'-(3-aminophenoxy)-[1,1'-biphenyl]-4-yl]oxy}aniline

EC Number:

700-102-1

Cas Number:

105112-76-3

Molecular formula:

C24H20N2O2

IUPAC Name:

3-{[4'-(3-aminophenoxy)-[1,1'-biphenyl]-4-yl]oxy}aniline

Details on test material:

- Name of test material (as cited in study report): 3,3-(4,4-biphenylenedioxy)dianiline
- Physical state: Off-white powder
- Analytical purity: > 99 %
- Lot/batch No.: 20070501
- Expiration date of the lot/batch: 30 April 2008
- Storage condition of test material: Room temperature
- Other: Date of receipt 28 August 2007

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

3.2

Temp.:

25 °C

pH:

9

Any other information on results incl. tables

Table 1: HPLC determination of log₁₀P_OWfor 3,3-(4,4-biphenylenedioxy)dianiline

Sample	Substance	tr (minutes)	k	log10k	log10POW
Standard run A	Acetanilide	0.663	0.203	-0.692	1.0
(t0 = 0.551 min)	Nitrobenzene	0.81	0.47	-0.328	1.9
	Ethylbenzoate	1.069	0.94	-0.027	2.6
	Bromobenzene	1.253	1.274	0.105	3.0
	Benzylbenzoate	1.6	1.904	0.28	4.0
	DDT	6.789	11.321	1.054	6.2
Sample A	Test substance	1.252	1.268	0.103	3.2
(t0 = 0.552 min)
Sample B	Test substance	1.249	1.275	0.106	3.2
(t0 = 0.549 min)
Standard run B	Acetanilide	0.664	0.203	-0.693	1.0
(t0 = 0.552 min)	Nitrobenzene	0.812	0.471	-0.327	1.9
	Ethylbenzoate	1.071	0.94	-0.027	2.6
	Bromobenzene	1.256	1.275	0.106	3.0
	Benzylbenzoate	1.603	1.904	0.28	4.0
	DDT	6.799	11.317	1.054	6.2

Linear regression (based on mean standard runs A and B): log₁₀P_OW = 3.04 · log₁₀k + 2.92

Applicant's summary and conclusion

Conclusions:

The test substance 3,3-(4,4-biphenylenedioxy)dianiline was found to have a log10Pow value of 3.2.

Executive summary:

A value of the log10Pow for 3,3-(4,4-biphenylenedioxy)dianiline was estimated using high performance liquid chromatography (HPLC) in compliance with EU Method A.8. The test was performed on columns containing hydrocarbon chains (e.g., C8, C18) chemically bound onto silica. A capacity factor k was determined according to the partitioning between the mobile solvent phase and the hydrocarbon stationary phase (expressed as (tr-t0)/t0), where tr is the measured retention time of the sample and t0 is the retention time of the internal deadtime standard formamide).

A mean calibration curve produced was: log10Pow = 3.04 log10k + 2.92. A value of log10Pow for 3,3-(4,4-biphenylenedioxy) dianiline of 3.2 at 25 °C was thus obtained.