Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Dec 2018 - Jan 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Key result

Type:

log Pow

Partition coefficient:

ca. 0.088

Temp.:

20 °C

pH:

ca. 7

Flask No.	1	2	3	4	5	6
Solvent Ratio (O:W)	1:1	1:1	1:2	1:2	2:1	2:1
Volume of Octanol (ml)	50	50	50	50	100	100
Volume of Water (ml)	50	50	100	100	50	50
Amount of sample added (g)	0.143	0.143	0.143	0.143	0.286	0.286
pH (aqueous phase)	7.97	7.97	7.86	7.86	8.12	8.13
Mean Peak area (aqueous phase)	24365.5	24204.0	14520.5	14428.0	39410.5	39486.0
Concentration (g/L)	0.24736	0.24574	0.14888	0.14796	0.39784	0.39860
Dilution factor	5	5	5	5	5	5
Peak area (aqueous phase)	1.23679	1.22871	0.74442	0.73979	1.98922	1.99300
Mean Peak area (octanol phase)	15019.5	15545.5	12467.0	12347.5	7790.5	16792.0
Concentration (g/L)	0.15387	0.15914	0.12834	0.12715	0.08157	0.17160
Dilution factor	10	10	10	10	20	10
Concentration (g/L) (octanol phase)	1.53875	1.59136	1.28343	1.27148	1.63133	1.71604
Log P	0.0949	0.1123	0.2366	0.2352	-0.0861	-0.0650

Mean partition coefficient result (Log Pow): 0.088

Comments

Run time 20 minutes. The octanol layer from Flask number 5 was inadvertently prepared with a dilution factor of 20, compared to a dilution factor of 10 with the other flasks. Due to the linear nature of the calibration this will not have any impact on the results.

Conclusions:

The mean partition coefficient (Log Pow) of Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined to be 0.088 using the shake flask method.

Executive summary:

Thepartition coefficient (Log Pow) of Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)was determined by the shake flask method, conducted in accordance with the procedure described in EU Regulation (EC) 440/2008, Annex Part A test A.8 and OECD Test Guideline 107.

The study was assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).

 

Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) mean partition coefficient result (Log Pow): 0.088.

Description of key information

The partition coefficient of Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined using the Shake Flask Method. The test is conducted in accordance with the procedure described in EU Regulation (EC) 440/2008, Annex Part A test A.8 and OECD Test Guideline 107 and assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).

The mean partition coefficient obtained for Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined to be 0.088.

Key value for chemical safety assessment

Log Kow (Log Pow):

0.088

at the temperature of:

20 °C

Additional information

The mean partition coefficient (Log Pow) obtained for Octanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1) was determined to be 0.088.