Bis(2-ethylhexyl) 2-(4-hydroxy-3,5-dimethoxybenzylidene)malonate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

02.11.2004-09.11.2004

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch number of test material: PR/MPA-4/50
- Purity: 97.8%

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: 15°C – 25°C in a tight, light resistant container protected from moisture

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

6.7

Temp.:

25 °C

pH:

6

Details on results:

Using the determined linear parameters, the following n-octanol/water partition coefficient was obtained for the test item by extrapolation:

Determination: log Pow = 6.7 Pow = 4.87E+06

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

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
4 -Methoxphenol	2.48	2.50	2.48	2.487	0.2052	-0.6879	1.3
Methylbenzoate	3.70	3.74	3.70	3.713	0.7997	-0.0971	2.1
Biphenyl-4 -ol	4.46	4.50	4.46	4.473	1.1680	0.0674	3.2
Biphenyl	9.66	9.70	9.65	9.670	3.6866	0.5666	4.0
Phenanthrene	15.10	15.13	15.07	15.100	6.3183	0.8006	4.5
Triphenylamine	21.86	21.90	21.83	21.863	9.5961	0.9821	5.7
Fomiamid	2.06	2.07	2.06	2.063
Test item	66.63	66.63	66.67	66.643	31.2989	1.4955	6.69

log k = a + b * log Pow
Parameter:      

a = -1.0449

b = 0.3799
r = 0.975

Conclusions:

The logPow of the test item at 25 °C was determined to be 6.7.

Description of key information

The logPow of the test item at 25 °C was determined to be 6.7.

Key value for chemical safety assessment

Log Kow (Log Pow):

6.7

at the temperature of:

25 °C

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. The logPow of the test item at 25 °C was determined to be 6.7.