Fatty acids, C9-13-neo-, barium salts

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-05-14 to 2018-05-25

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

yes

Remarks:

Two vessels were set up in a parallel design, each vessel was sampled several times instead of sampling one vessel at every point in time/ exclusion of O2 and CO2, under inert gas (argon)

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

2008

Deviations:

yes

Remarks:

Two vessels were set up in a parallel design, each vessel was be sampled several times instead of sampling one vessel at every point in time/ exclusion of O2 and CO2, under inert gas (argon)

GLP compliance:

yes (incl. QA statement)

Remarks:

2019-07-15

Type of method:

flask method

Specific details on test material used for the study:

Storage conditions: Room temperature tightly closed
Appearance: solid, beige different size of hard lumps

Water solubility:

146 g/L

Conc. based on:

test mat. (dissolved fraction)

Loading of aqueous phase:

1 000 g/L

Incubation duration:

>= 10 - <= 11 d

Temp.:

20 °C

pH:

>= 9.28 - <= 9.48

Remarks on result:

other: S.D: ± 13 g/L

Remarks:

Calculated on a mean dissolved barium concentration of 44.5 ± 4.0 g/L and a barium content of 30.5 %.

Water solubility:

44.5 g/L

Conc. based on:

element

Remarks:

barium

Loading of aqueous phase:

1 000 other: g test item /L

Incubation duration:

>= 10 - <= 11 d

Temp.:

20 °C

pH:

>= 9.28 - <= 9.48

Remarks on result:

other: S.D: ± 3.96 g/L Ba

Details on results:

- Temperature: The mean temperature during the test was 20.9 ± 0.3 °C
- Oxygen concentration: No oxygen was measurable.
- pH of test item solutions: 9.3 and 9.5, method blanks: 6.5 to 7.4
- Turbidity: < 1 NTU
- Analytical measurements: The variation of the mean dissolved barium concentration of sampling days 9, 10 and 11 is less than 15 % and an increasing trend was not observed, therefore the requirements of the OECD 105 and Regulation 440/2008/EC A.6 were fulfilled.

ICP-OES measurement series with corresponding LOD/LOQ, correlation coefficient and sum of quality assurance samples and recovery

Calibration [µg/L] – lowest and highest calibration point	Chosen wavelength [nm]	LOD [µg/L]	LOQ [µg/L]	correlation coefficient	Sum of quality assurance samples	Recovery of quality assurance samples [%]
May 23, 2018; measurement of test samples (9d) and method blanks
4.0 – 1000 (total of 16 calibration points, 14 used + blank)	455.403	0.05	0.14	0.99999	21	100
May 24, 2018; measurement of test samples (10d) and method blanks
1.0 – 1000 (total of 16 calibration points, 16 used + blank)	455.403	0.09	0.27	1.00000	11	100
May 25, 2018; measurement of test samples (11d) and method blanks
2.0 – 100 (total of 15 calibration points, 14 used + blank)	455.403	0.07	0.20	0.99975	11	100

Recovery/validation data barium of measurement series

Element Ba	Recovery [%]	SD [%]	n (total)	n (valid)
May 23, 2018
TMDA-70.2 (dilution 2-fold), nominal value Ba: 321 µg/L – diluted 161 µg/L	99.1	2.3	4	4
Quality control standard (Roth) 5 µg/L	108	0.8	4	4
Quality control standard (Roth) 50 µg/L	99.8	1.3	4	4
Quality control standard (Roth) 500 µg/L	101	1.7	4	4
Recalibration standard 100 µg/L	97.1	1.8	4	4
May 24, 2018
TMDA-70.2 (dilution 4-fold), nominal value Ba: 321 µg/L – diluted 80.3 µg/L	104	1.3	2	2
Quality control standard (Roth) 5 µg/L	103	3.8	2	2
Quality control standard (Roth) 10 µg/L	104	0.8	2	2
Quality control standard (Roth) 50 µg/L	105	1.0	2	2
Recalibration standard 60 µg/L	98.2	0.6	2	2
May 25, 2018
TMDA-70.2 (dilution 4-fold), nominal value Ba: 321 µg/L – diluted 80.3 µg/L	103	1.5	2	2
Quality control standard (Roth) 5 µg/L	93.8	2.6	2	2
Quality control standard (Roth) 10 µg/L	98.3	0.4	2	2
Quality control standard (Roth) 50 µg/L	102	0.7	2	2
Recalibration standard 60 µg/L	100	1.7	2	2

 

A selected sample was fortified with a known amount of barium (by standard addition of commercial standard) to determine the standard recovery of this element.

 

Fortification of measurement series

Sample	element	measured concentration [µg/L]	calculated level after addition [µg/L]	recovery [µg/L] / [%]
May 23, 2018
Vessel 1 sample a 9d – 1 mL sample 4 mL 400 µg/L standard	Ba	38.2	328	324 / 99.0
May 24, 2018
Vessel 1 sample a 10d – 1 mL sample 4 mL 90 µg/L standard	Ba	51.4	82.3	79.8 / 97.0
May 25, 2018
Vessel 1 sample a 11d – 1 mL sample 4 mL 90 µg/L standard	Ba	40.3	80.1	78.2 / 97.6

Calculation of test item dissolved on basis of dissolved Ba (days 10, 11)

Sample	Ba conc. [g/L]	Mean Ba conc. [g/L]	SD [g/L]	mean Ba all samples [g/L]	SD [g/L]	Ba in test item [%]	Calculated amount of test item dissolved on Basis of Ba (100% Purity) [g/L]	Mean dissolved test item [g/L]	SD [g/L]	mean all samples [g/L]	SD [g/L]
vessel 1 sample a 10d	51.4	46.1	5.19	44.5	3.96	30.5	168	151	17	146	13
vessel 1 sample b 10d	49.5						162
vessel 1 sample a 11d	40.3						132
vessel 1 sample a 11d	43.2						142
vessel 2 sample a 10d	43.0	42.9	1.65				141	141	5
vessel 2 sample b 10d	42.2						138
vessel 2 sample a 11d	45.1						148
vessel 2 sample b 11d	41.3						135

 

Conclusions:

Under the conditions of this test (under exclusion of CO2 and O2, under inert gas; flask method; loadings of 1.006 and 1.003 kg/L test substance in vessel 1 and 2, respectively), a solubility equilibrium was reached. The mean measured amount of dissolved barium on day 10 and 11 at 20.9 ± 0.3 °C is 44.5 ± 4.0 g/L (determined as dissolved barium, separated by filtration from undissolved test item). This corresponds to a water solubility of dissolved fatty acids, C9-C13-neo, barium salts of 146 ± 13 g/L, calculated on a barium content of 30.5 %.
The pH of test item solutions remained between 9.3 and 9.5, whereas the pH of method blanks ranged from 6.5 to 7.4.

Description of key information

According to OECD Guideline 105 (1995) and EU Method 440/2008 A.6, the test item fatty acids, C9-C13-neo, barium salts has a water solubility of 146 ± 13 g/L at 20 °C.

Key value for chemical safety assessment

Water solubility:

146 g/L

at the temperature of:

20 °C

Additional information

Under the conditions of this test (under exclusion of CO2 and O2, under inert gas; flask method; loadings of 1.006 and 1.003 kg/L test substance in vessel 1 and 2, respectively), a solubility equilibrium was reached. The mean measured amount of dissolved barium on day 10 and 11 at 20.9 ± 0.3 °C is 44.5 ± 4.0 g/L (determined as dissolved barium, separated by filtration from undissolved test item). This corresponds to a water solubility of dissolved fatty acids, C9-C13-neo, barium salts of 146 ± 13 g/L, calculated on a barium content of 30.5 %.

The pH of test item solutions remained between 9.3 and 9.5, whereas the pH of method blanks ranged from 6.5 to 7.4.