4,4'-Methylene-bis-(3-chloro-2,6-diethylaniline)

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1987

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: Annex V, A8 (Preliminary method)

GLP compliance:

yes

Type of method:

other: estimation based on solubilities in water and n-octanol

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

6.5

Temp.:

20 °C

Remarks on result:

other: pH not measured

Details on results:

The solubility of P5367 in water is 2.0 x 10 Exp.-05 g/l; from the preliminary test, a solubility of the test substance in n-octanol of 70 g/l was determined, resulting in a partition coefficient (P estimate) of 3.5 x 10 Exp.06. Based on the high estimated Pow-value, it is concluded that a Pow-value more reliable than the estimated Pow-value can not be obtained using the analytical procedure as mentioned above. Because this is in agreement with the EEC test method A.8 (as described in the Annex o f EEC Directive 84/449) stating a sensitivity of Pow-values up to 10 Exp.5, it can be concluded that the Pow for P5367 is 3.5 x10 Exp.6 (log Pow = 6.5) at room temperature.

Conclusions:

The partition coefficient n-octanol/water was calculated to be approx. 3.5 x 10 Exp.6 (log Pow = 6.5)

Executive summary:

The study was performed 1987 as GLP-test following EU-testing method A.8. The solubility of P5367 in water is 2.0 x 10 Exp.-5 g/l; from the preliminary test, a solubility of the test substance in n-octanol of 70 g/l was determined, resulting in a partition coefficient (P estimate) of 3.5 x 10 Exp.6. Based on the high estimated Pow-value, it is concluded that a Pow-value more reliable than the estimated Pow-value can not be obtained using the analytical procedure as mentioned above. Because this is in agreement with the EEC test method A.8 (as described in the Annex o f EEC Directive 84/449) stating a sensitivity of Pow-values up to 10 Exp.5, it can be concluded that the Pow for P5367 is 3.5 x10 Exp.6 (log Pow = 6.5) at room temperature. A supporting study conducted by another CRO using Annex V, A.8 gave a value of 6.3.

Reference 2

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

1987

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes

Type of method:

other: estimation based on solubilities in water and n-octanol

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

6.3

Temp.:

22 °C

pH:

ca. 5.9

Conclusions:

The Log Po/w was found to be 6.3 at 22°C.

Executive summary:

The study was performed 1987 as GLP-test following EU-testing method A.8, using a calculation method based on the solubilities in water and n-octanol. The octanol water partition coefficient of P5367 has been determined at 22 +/- 1°C to be 1.9 x 10 Exp.6 with a standard deviation of 0.18 x 10 Exp.6, and a range of 1.65 x 10 Exp.6 - 2.18 x 10 Exp.6. This corresponds to a Log Po/w of 6.3 at 22°C.

Description of key information

The n-octanol/water partition coefficient was measured at two different test laboratories. In both labs, the studies were performed under GLP and in accordance with EU-testing method A.8 and showed similar results. The value of Log Pow of 6.5 of the key study was used for the safety assessment.

Key value for chemical safety assessment

Log Kow (Log Pow):

6.5

at the temperature of:

20 °C

Additional information

Reference: GLP-report