N-[2-[bis(carboxymethyl)amino]ethyl]-N-(1-oxononyl)Glycine

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2022-01-17 to 2022-05-18

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)

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Analytical method:

photometric method

other: visual examination

Key result

Type:

log Pow

Partition coefficient:

<= 1

Temp.:

25 °C

Remarks on result:

not determinable because of methodological limitations

Remarks:

The test item showed no evaluable UV activity at low concentrations. The preliminary test was conducted upon visual examination.

The preliminary test at room temperature showed, that the 1-octanol solubility of the test item is < 0.1 g/L. The observations of the preliminary test are summarised in Table 1.

Table 1: Preliminary test results for the 1-octanol solubility

Amount of test item [mg]	Total volume of added 1-octanol [mL]	Stirring time [h:min]	Remark
220	5	0:45	not dissolved
	25	1:00	not dissolved
	75	1:05	not dissolved
16	5	2:15	not dissolved
	25	0:45	not dissolved
	55	16:30	not dissolved
	105	6:35	not dissolved
	155	114:55	not dissolved

The partition coefficients can be calculated from the solubilities in water and 1-octanol by the following equation:

P_OW = c_1-Octanol / c_water

With the values of the estimated water solubility (< 9 mg/L) and the estimated solubility in 1-octanol from this preliminary test (< 0.1 g/L), the partition coefficient could be calculated to be approx. 11 (= log P_OW ~ 1) at room temperature. However, it was not possible to determine an exact value for neither the water solubility nor the 1-octanol solubility and hence the real log P_OW can only be considered as an estimated value.

Conclusions:

Log Pow was estimated to be about 1. 

Executive summary:

In accordance with the methods OECD 107, OECD 117 and EEC A.8 the partition coefficient of the test item was estimated by preliminary tests of the substance's solubility in water and octanol.

The 1-octanol solubility was estimated to be < 0.1 g/L, the water solubility was estimated to be < 9 mg/L. This results in an estimated log P_ow at room temperature of approximately 1. 

Description of key information

In accordance with the methods OECD 107, OECD 117 and EEC A.8 the partition coefficient of the test item was estimated in preliminary tests of the substance's solubility in water and octanol.

The 1-octanol solubility was estimated to be < 0.1 g/L, the water solubility was estimated to be < 9 mg/L. This results in an estimated log P_ow at room temperature of approximately 1.  (log P_OW <= 1)

 

Additional information

Estimated Log POW <=1