4,4-bis(methoxymethyl)biphenyl

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Testing was conducted between 17 December 2008 and 27 January 2009.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of relevant results.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2009

Report date:

2009

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

with UK GLP standards (Schedule 1, Good Laboratory Practice Regulations 1999 (SI 1999/3106 as amended by SI 2004/0994)). Date of inspection: 21/08/2008. Date of signature: 04/03/2009.

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

4,4'-bis(methoxymethyl)-1,1'-biphenyl

EC Number:

700-008-0

Cas Number:

3753-18-2

Molecular formula:

C16 H18 O2

IUPAC Name:

4,4'-bis(methoxymethyl)-1,1'-biphenyl

Constituent 2

Reference substance name:

4,4-bis(methoxymethyl)-biphenyl

IUPAC Name:

4,4-bis(methoxymethyl)-biphenyl

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

3.15

Temp.:

40 °C

pH:

7

Details on results:

The partition coefficient of the test material has been determined to be 1.41 x 103,
log10 Pow 3.15.

Any other information on results incl. tables

Results

Preliminary estimate

Approximate solubility in n-octanol:           22.1 % w/w
Approximate solubility in water:      <3.78 x 10^-3% w/w
Approximate P_ow:                                     >5.86 x 10³
Log₁₀P_ow:                                                 >3.77

Definitive test

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	2.624	2.623	2.624

Standard	Retention Time (mins)		Mean Retention Time (mins)	Capacity Factor (k)	Log10k	Log10Pow
	Injection 1	Injection 2
Benzene	5.561	5.566	5.564	1.12	4.95 x 10^-2	2.1
Toluene	7.407	7.413	7.410	1.82	0.261	2.7
Naphthalene	8.978	8.987	8.983	2.42	0.385	3.6
Phenanthrene	16.518	16.535	16.527	5.30	0.724	4.5
Triphenylamine	35.850	35.885	35.868	12.7	1.10	5.7
DDT	50.830	50.847	50.839	18.4	1.26	6.5

Partition coefficient of sample

The retention times, capacity factors and log₁₀P_owvalues determined for the sample are shown in the following table:

Injection	Retention Time (mins)	Capacity Factor (k)	Log10k	Log10Pow
1	8.372	2.19	0.341	3.15
2	8.375	2.19	0.341	3.15

Mean log₁₀P_ow:                   3.15
Partition coefficient:            1.41 x 10³

Applicant's summary and conclusion

Conclusions:

The partition coefficient of the test material has been determined to be 1.41 x 103,
log10 Pow 3.15.

Executive summary:

The determination was carried out using the HPLC Method, Method A8 Partition Coefficient of Council Regulation (EC) No 440/2008 of 30 May 2008.

The partition coefficient of the test material has been determined to be 1.41 x 10³,
log₁₀P_ow 3.15.