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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
05 November 2014 - 07 June 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP-compliant study in accordance with EC A.8, OECD 107 and EPA OPPTS 830.7550.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report date:
2015

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
(2008)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
(1995)
Deviations:
no
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:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Barium tartrate
EC Number:
227-615-9
EC Name:
Barium tartrate
Cas Number:
5908-81-6
Molecular formula:
C4H4O6Ba
IUPAC Name:
Barium L(+)-(2R,3R)-tartrate
Details on test material:
- Name of test material (as cited in study report): Barium tartrate
- Appearance: White powder

Study design

Analytical method:
other: ICP-MS (see IUCLID Section 8)

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
< 0
Temp.:
20 °C
pH:
7
Remarks on result:
other: Mean value (n=6). Standard deviation: 0.00041
Type:
log Pow
Partition coefficient:
< -3.4
Temp.:
20 °C
pH:
7
Remarks on result:
other: Mean value (n=6)
Details on results:
- Preliminary test: the content of test substance dissolved in the n-octanol sample was 0.0017 mg/L
Main study:
- The log Pow values fell within the criterion range of ± 0.3 log units (see table below)
- The mean analysed concentration of the substance in the stock solution was 0.0346 g/L. Based on this, the nominal quantity of the test substance in each test vessel was 0.0692 mg. The recoveries were determined according to this value.
- The quantity analysed in each of the test vessels was in the range of 0.0679 - 0.0718 mg; the recoveries were thus between 98 and 104%.

Any other information on results incl. tables

Shake-flask method results

Ratio
n-octanol : water
[v:v]

Analysed concentration

Pow

log Pow

pH

n-octanol
[g/L]

water
[g/L]

individual

mean

 

 

 

 

 

 

 

1:1

<2.11E-06

0.0120

<1.8 x 10-4

<1.8 x 10-4

< -3.8

7.0

 

<2.09E-06

0.0116

<1.8 x 10-4

 

< -3.8

7.0

 

 

 

 

 

 

 

1:2

8.84E-06

0.00898

9.8 x 10-4

<6.1 x 10-4

< -3.0

7.0

 

<2.09E-06

0.00881

<2.4 x 10-4

 

< -3.6

7.0

 

 

 

 

 

 

 

2:1

1.60E-05

0.0169

9.5 x 10-4

<5.3 x 10-4

< -3.0

7.0

 

<2.13E-06

0.0175

<1.2 x 10-4

 

< -3.9

7.0

 

 

 

 

 

 

 

No test substance was detected in the pre-treated samples from the blank mixture. Therefore no correction was applied on the results.

 

Applicant's summary and conclusion

Conclusions:
In a GLP-compliant study in accordance with EC A.8, OECD 107 and EPA OPPTS 830.7550 using the shake-flask method, the log Pow of the substance at pH 7 and 20°C was determined as < -3.4 (Pow: < 0.00044).