1,1'-Biphenyl, 4-methyl-4'-(3E)-3-penten-1-yl-

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2006-11-24 to 2006-11-30

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

7.3

Temp.:

25 °C

pH:

ca. 7

Details on results:

Using the determined linear parameters, the following n-octanol/water partition coefficient was obtained for the test item by interpolation:
1. determination: log Pow = 7.30 Pow = 1.97E+07
2. determination: logPow = 7.27 Pow= 1.84E+07

Mean value: log Pow= 7.3 Pow= 1.91E+07

Triphenylamine (log Pow 5.7) was used as the reference substance with the highest log Pow. As the calculated value for the test item was greater, the result is
log Pow = > 5.7 Pow= > 5.0E+05

1. measurement

Reference substance	1. Inj.tR in min	2. Inj. tR in min	3. Inj. tR in min	Mean tR in min	k	Log k	log Pow
Acetophenone	1.57	1.57	1.55	1.563	0.2920	-0.5346	1.7
Methylbenzoate	1.82	1.82	1.80	1.813	0.4986	-0.3022	2.1
Phenylbenzoate	2.65	2.65	2.63	2.643	1.1846	0.0736	3.6
Biphenyle	4.09	4.09	4.07	4.083	2.3747	0.3756	4.0
Phenanthrene	6.24	6.24	6.23	6.237	4.1543	0.6185	4.5
Triphenylamine	8.29	8.29	8.28	8.287	5.8485	0.7670	5.7
Formamide	1.21	1.21	1.21	1.210
Test item	32.40	32.41	32.39	32.400	25.7769	1.4112	7.30

log k = a + b * log Pow
Parameter:      

a = -1.0465

b = 0.3369
r = 0.980

 

2. measurement

Reference substance	1. Inj. tR in min	2.Inj.tR in min	3. Inj. tR in min	mean tR in min	k	log k	log Pow
Acetophenone	1.56	1.55	1.58	1.563	0.2779	-0.5561	1.7
Methylbenzoate	1.81	1.80	1.83	1.813	0.4823	-0.3167	2.1
Phenylbenzoate	2.65	2.64	2.66	2.650	1.1662	0.0668	3.6
Biphenyle	4.09	4.08	4.10	4.090	2.3433	0.3698	4.0
Phenanthrene	6.25	6.24	6.26	6.250	4.1090	0.6137	4.5
Triphenylamine	8.30	8.29	8.32	8.303	5.7875	0.7625	5.7
Formamide	1.23	1.22	1.22	1.223
Test item	32.44	32.43	32.45	32.440	25.5177	1.4068	7.27

 

log k = a + b * log Pow
Parameter:     

a = -1.0710

b = 0.3410
r = 0.980

Conclusions:

The logPow of the test item at 25 °C was determined to be above 5.7.

Executive summary:

A study was conducted in accordance with Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. After equilibration of the HPLC system, the calibration mixture and the test item were measured twice. Retention times tR were determined and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. Triphenylamine (log Pow 5.7) was used as the reference substance with the highest log Pow and the logPow of the test item was estimated to be above 5.7. As the calculated value for the test item was greater than the highest calibration standard, the log Pow was out of the calibration range. Thus, the logPow was determined to be above 5.7 at 25 °C.

Description of key information

The logPow of the test item at 25 °C was determined to be above 5.7.

Additional information

A study was conducted in accordance with Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. After equilibration of the HPLC system, the calibration mixture and the test item were measured twice. Retention times tR were determined and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. Triphenylamine (log Pow 5.7) was used as the reference substance with the highest log Pow and the log Pow of the test item was estimated to be above 5.7. As the calculated value for the test item was greater than the highest calibration standard, the log Pow was out of the calibration range. Thus, the logPow was determined to be above 5.7 at 25 °C (reference 4.7-1).