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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
06 September 2017 - 10 November 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
liquid chromatography
other: ICP-MS
Type:
log Pow
Partition coefficient:
-1.9
Temp.:
19.7 °C
pH:
>= 8.3 - <= 8.6
Remarks on result:
other: Partition coefficient of polyborate moiety
Remarks:
The pH measured for the samples is in the environmental range (5-9) and therefore this was considered to have no impact in the study and the results.
Type:
log Pow
Partition coefficient:
-1.1
Temp.:
19.7 °C
pH:
>= 8.3 - <= 8.6
Remarks on result:
other: Partition coefficient for organic moiety
Remarks:
The pH measured for the samples is in the environmental range (5-9) and therefore this was considered to have no impact in the study and the results.
Details on results:
The log Pow values were within the acceptable range of ± 0.3 log units.

Partition coefficient for polyborate moiety:

Ratio
n-octanol : water [v:v]

Analyzed concentration

Pow

log Pow

pH

n-octanol
[g/L]

water
[g/L]

individual

mean

1:1

0.301

3.49

8.6 x 10-2

8.8 x 10-2

-1.1

9.2

 

0.301

3.27

9.1 x 10-2

 

-1.0

9.2

1:2

0.261

2.64

9.9 x 10-2

9.7 x 10-2

-1.0

9.1

 

0.251

2.65

9.6 x 10-2

 

-1.0

9.1

2:1

0.341

4.48

7.7 x 10-2

7.6 x 10-2

-1.1

9.3

 

0.351

4.67

7.5 x 10-2

 

-1.1

9.3

Mean

8.7 x 10-2

 

-1.1

 

Standard deviation

9.8 x 10-3

 

 

 

1 Estimated value, calculated by extrapolation of the calibration curve.

Partition coefficient for organic moiety:

Ratio
n-octanol : water [v:v]

Analyzed concentration

Pow

log Pow

pH

n-octanol
[g/L]

water
[g/L]

individual

mean

1:1

0.0428

3.40

1.3 x 10-2

1.2 x 10-2

-1.9

9.2

 

0.0420

3.39

1.2 x 10-2

 

-1.9

9.2

1:2

0.0270

2.56

1.1 x 10-2

1.0 x 10-2

-2.0

9.1

 

0.0264

2.60

1.0 x 10-2

 

-2.0

9.1

2:1

0.0750

4.77

1.6 x 10-2

1.6 x 10-2

-1.8

9.3

 

0.0755

4.89

1.5 x 10-2

 

-1.8

9.3

Mean

1.3 x 10-2

 

-1.9

 

Standard deviation

2.3 x 10-3

 

 

 

Conclusions:
The partition coefficient (log Pow) of Reaction products of monoenthanolamine and boric acid (1:1) in an OECD 107 study under GLP conditions was the following:
- at 19.7°C, pH 8.3-8.6, for the polyborate moiety is -1.9.
- at 19.7°C, pH 8.3-8.6, for the organic moiety is -1.1.
The determined log Pow values were within the acceptable range of ± 0.3 log units.
Executive summary:

The n-octanol/water partition coefficient of the test item was determined according to OECD guideline 107 and EC method A.8. The analytical methods were validated following SANCO/3029/99 rev. 4. The determined partition coefficient (log Pow) at 19.7°C, pH 8.3 -8.6, for the polyborate moiety is -1.9. The determined partition coefficient (log Pow) at 19.7°C, pH 8.3 -8.6, for the organic moiety is -1.1.

Description of key information

The partition coefficient (log Pow) of Reaction products of monoenthanolamine and boric acid (1:1) in an OECD 107 study under GLP conditions was the following:

- at 19.7°C, pH 8.3-8.6, for the polyborate moiety is -1.9.

- at 19.7°C, pH 8.3-8.6, for the organic moiety is -1.1.

The determined log Pow values were within the acceptable range of ± 0.3 log units.  

Key value for chemical safety assessment

Additional information