1,2,4-Benzenetricarboxylic acid, tri-C9-11-alkyl esters

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14-15 Sep 2011

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Guideline study

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Qualifier:

according to guideline

Guideline:

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

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

no

Remarks:

ISO 9001

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

10.6

Temp.:

55 °C

pH:

5.9

Repeatability: The value of Log Pow derived from repeated measurements (under identical conditions and using the same set of reference substances) was fallen within a range less of ± 0.1 log units.

Retention time of reference items at 210 nm:

Serial N°	Retention time of
	Acetanilide	2-Nitrophenol	Toluene	Naphthalene	Phenanthrene	DDT	Decachlorobiphenyl
1	1.298	1.402	1.744	1.889	2.441	2.750	13.153
2	1.292	1.396	1.737	1.882	2.420	2.714	13.281
3	1.292	1.400	1.743	1.890	2.437	2.748	13.422
4	1.292	1.400	1.743	1.891	2.439	2.750	13.420
5	1.294	1.405	1.748	1.896	2.448	2.765	13.569
6	1.294	1.404	1.747	1.896	2.449	2.765	13.564
Mean	1.294	1.401	1.744	1.891	2.439	2.749	13.402

Calibration data:

Injection N°	Average retention time	Average log k	Referenced log Pow
Thiourea (dead time)	1.167	-
Acetanilide	1.294	-0.963	1.0
2-Nitrophenol	1,401	-0.696	1.8
Toluene	1.744	-0.306	2.7
Naphthalene	1.891	-0.207	3.6
Phenanthrene	2.439	0.038	4.5
DDT	2.749	0.132	6.5
Decachlorobiphenyl	13.402	1.021	8.2

Reproducibility: the correlation coefficient R for the relationship between log k and log Pow for this set of reference substances was determined to be 0.9657.

Retention data for the test item:

Injection N°	Retention time				log k’
	1. peak (83.8% area)	2. peak (5.7% area)	3. peak (7.8% area)	4. peak (2.8% area)	1. peak	2. peak	3. peak	4. peak
1	40.956	49.037	60.817	74.351	1.533	1.613	1.709	1.797
2	40.519	48.628	59.494	73.254	1.528	1.609	1.699	1.791
3	40.723	48.809	60.643	73.736	1.530	1.611	1.707	1.794
4	40.574	48.276	61.002	74.002	1.529	1.615	1.710	1.795
Mean					1.530	1.612	1.706	1.794

Log Pow was extrapolated as follows:

Log Pow = 3.8762 log k + 4.5859

obtaining values: 10.5; 10.8; 11.2; 11.5, for peaks 1., 2., 3., 4., respectively.

Weighted mean: log Pow = 10.6

Description of key information

log Pow = 10.6 at 55 °C, pH = 5.9

Key value for chemical safety assessment

Log Kow (Log Pow):

10.6

at the temperature of:

55 °C

Additional information

The partition coefficient of the substance 1,2,4-benzenetricarboxylic acid (CAS 94279-36-4) was determined according to the OECD Guideline 117 and other guidelines. It is believed that log Pow does not dependent significantly on the temperature, thus the result at 55 °C can be accepted for risk assessment.