Benzoic acid, C12-15-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:

05 October 2009 - 24 November 2009

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 (incl. QA statement)

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

> 6

Temp.:

22.5 °C

pH:

ca. 5.6

Remarks on result:

other: No sample peak was obtained from analysis of the aqueous phase from all three test vessels.

Details on results:

No sample peak was obtained from analysis of the aqueous phase from all three test vessels. Therefore, the phase concentration ratio of octanol to aqueous phase approaches infinity . The Log Pow of the test material is therefore greater than 6.

 

Flask No.	1	2	3	4	5	6
Solvent Ratio	1:1	1:1	1:2	1:2	2:1	2:1
Vol. of Water (ml)	50	50	33	33	67	67
Vol. of Octanol (ml)	50	50	67	67	33	33
Amount of sample added (g)	450	450	450	450	450	450
pH (aqueous phase)	5.61	5.61	5.74	5.74	5.66	5.66
Peak area (aqueous phase)	-	-	-	-	-	-
Conc. (g/L) (aqueous phase)	-	-	-	-	-	-
Peak area (octanol phase)	43405660	43082890	62235840	61822880	34169500	34506160
Conc. (g/l) (octanol phase)	176.11288	174.80328	252.51391	250.83837	138.63835	140.0043
Log P	> 6.0	> 6.0	> 6.0	> 6.0	> 6.0	> 6.0

 

Mean partition coefficient (Log Pow) result: > 6.0

Conclusions:

The determined partition coefficient (Log Pow) of the substance was > 6.0.

Executive summary:

In the study, the partition coefficient (Log Pow) of the substance was determined according to EC 440/2008 (A.8 - Shake flask method) in duplicate determinations. Three flasks were filled with the saturated solvents in the n-octanol to water ratio of 1:1, 1:2 and 2:1, respectively. Test material was added to solvents and vigorously shaking followed for about one hour. After over 24 hours standing to ensure equilibrium the concentration of specimen in each of the two phases was determined with HPLC. No sample peak was obtained from analysis of the aqueous phase from all three test vessels. Therefore, the phase concentration ratio of octanol to aqueous phase approaches infinity. The Log Pow of the test material is therefore > 6.0.

Description of key information

The Log Pow of the test material is > 6.0.

Key value for chemical safety assessment

Log Kow (Log Pow):

6.1

at the temperature of:

22.5 °C

Additional information

In the study, the partition coefficient (Log Pow) of the substance was determined according to EC 440/2008 (A.8 - Shake flask method) in duplicate determinations. Three flasks were filled with the saturated solvents in the n-octanol to water ratio of 1:1, 1:2 and 2:1, respectively. Test material was added to solvents and vigorously shaking followed for about one hour. After over 24 hours standing to ensure equilibrium the concentration of specimen in each of the two phases was determined with HPLC. No sample peak was obtained from analysis of the aqueous phase from all three test vessels. Therefore, the phase concentration ratio of octanol to aqueous phase approaches infinity. The Log Pow of the test material is therefore > 6.0.