N,N-bis(2-hydroxyethyl)glycine

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 23 January 2017 to 16 March 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Remarks:

validated analytical method used for quantification of the samples

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Version / remarks:

2008

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

1995

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)

Version / remarks:

1996

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

N,N-bis(2-hydroxyethyl)glycine

EC Number:

205-755-1

EC Name:

N,N-bis(2-hydroxyethyl)glycine

Cas Number:

150-25-4

Molecular formula:

C6H13NO4

IUPAC Name:

N,N-bis(2-hydroxyethyl)glycine

impurity 1

Reference substance name:

N-(2-hydroxyethyl)ethylenediaminetriacetic acid

EC Number:

205-759-3

EC Name:

N-(2-hydroxyethyl)ethylenediaminetriacetic acid

Cas Number:

150-39-0

Molecular formula:

C10H18N2O7

IUPAC Name:

N-{2-[bis(carboxymethyl)amino]ethyl}-N-(2-hydroxyethyl)glycine

impurity 2

Reference substance name:

Not specified

IUPAC Name:

Not specified

impurity 3

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Dihydrogen oxide

Test material form:

solid: crystalline

Details on test material:

Appearance: white crystalline powder
Storage conditions: at room temperature protected from light

Results and discussion

Partition coefficient

Partition coefficient 1

Key result

Type:

log Pow

Partition coefficient:

< 2.3

Temp.:

20 °C

pH:

7

Partition coefficient 2

Key result

Type:

Pow

Partition coefficient:

< 0.005

Temp.:

20 °C

pH:

7

Details on results:

-The analysed concentration of the stock solution was 2960 g/L (1:1 ratio samples) and 3150 g/L (1:2 and 2:1 samples); nominal quantity of the test item in the test samples was 5.93 (1:1 ratio samples) and 6.30 mg (1:2 and 2:1 samples). The recoveries were determined according to these values; recoveries between 92% and 111%.
- No test substance was detected in the pretreated phases from the blank test sample.
- The log Pow values were within the criterion range of ± 0.3 log units (see table below)

Any other information on results incl. tables

Table: Shake-flask results

 

Ratio n-octanol : water [v:v]	Analysed concentration		Pow		log Pow	pH
	n-octanol [g/L]	water [g/L]	individual	mean
1:1	< 5.0 E-03	0.940	< 5.3 E-03	< 5.0 E-03	< -2.3	7.0
	< 5.0 E-03	1.09	< 4.6 E-03		< -2.3	7.0
1:2	< 5.0 E-03	0.762	< 6.6 E-03	< 6.7 E-03	< -2.2	7.0
	< 5.0 E-03	0.723	< 6.9 E-03		< -2.2	7.0
2:1	< 4.9 E-03	1.57	< 3.1 E-03	< 3.1 E-03	< -2.5	7.0
	< 5.0 E-03	1.60	< 3.1 E-03		< -2.5	7.0
Mean			< 4.9 E-03		< -2.3
Standard deviation			1.6 E-03

 

 

Applicant's summary and conclusion

Conclusions:

The log Pow of the substance at pH 7 and 20°C was determined to be < -2.3.

Executive summary:

The log Pow of the substance was determined using the shake-flask method in a GLP study according to EC A.8, OECD 107 and OPPTS 830.7550. Quantitative analysis was performed by UPLC-MS. The partition coefficient was determined at 20°C and pH 7, obtaining a Pow of < 4.9E-03 and a standard deviation of 1.6E-03. The log Pow of the substance is < -2.3.