Bismuth(3+) neodecanoate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-08-26 to 2018-11-22

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:

Three 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:

Three 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)

GLP compliance:

yes (incl. QA statement)

Remarks:

2019-07-15 (inspection 2018-10-25)

Type of method:

flask method

Specific details on test material used for the study:

Appearance: light yellow liquid
Storage conditions: at room temperature, in sealed container.

Key result

Water solubility:

2.76 µg/L

Conc. based on:

test mat. (dissolved fraction)

Loading of aqueous phase:

2 mg/L

Incubation duration:

>= 1 - <= 11 d

Temp.:

20.1 °C

pH:

>= 5.14 - <= 6.67

Remarks on result:

other: S.D: ± 2.70 µg/L

Remarks:

Calculated on a mean dissolved bismuth concentration of 0.790 ± 0.593 µg/L and a bismuth content of 28.6 %.

Water solubility:

0.79 µg/L

Conc. based on:

element (dissolved fraction)

Remarks:

Bismuth

Loading of aqueous phase:

2 other: mg test item /L

Incubation duration:

>= 1 - <= 11 d

Temp.:

20.1 °C

pH:

>= 5.14 - <= 6.67

Remarks on result:

other: S.D: ± 0.593 µg/L

Details on results:

Observations:
-1st main test: the test item adhered to the sample boats. Sample boats were transferred inside the test vessels prior to start. For the method blank vessels, blank sample boats were added to the ultrapure water.
- 2nd main test: the test item adhered to the bottom of the test item loaded flasks.

Temperature:
1st main test: mean: 20.1 ± 0.2 °C; minimum: 19.8 °C; maximum: 20.7 °C.
2nd main test: mean: 19.8 ± 0.3 °C; minimum: 19.5 °C; maximum: 21.1 °C.

pH:
1st test: test item solutions: 5.1 – 6.7: method blanks: 6.1 - 8.0.
2nd test: test item solutions: 4.2 – 4.8, method blanks: 6.3 - 7.8.

Oxygen concentration: No oxygen was measurable in both tests

Turbidity:
The turbidity of analysed samples (filtered through a 0.2 µm membrane) remained < 0.1 NTU.

ICP-MS measurement series with corresponding LOD/LOQ, correlation coefficient and sum of quality assurance samples and recovery (non GLP preliminary test)

Calibration [µg/L] – lowest and highest calibration point	Chosen isotope and gas mode	LOD [µg/L]	LOQ [µg/L]	Correlation coefficient	Sum of quality assurance samples	Recovery of quality assurance samples [%]
January22, 2018; measurement of samples from non GLP preliminary test.
1.00 – 500 (total of 11 calibration points, 11 used + blank)	^209Bi in no gas mode	0.000044	0.00133	1.0000	24	70.8
October 12, 2018; measurement of test samples and method blanks from 1st test (days 1, 2, 3)
0.01 – 2.5 (total of 10 calibration points, 10 used + blank)	^209Bi in no gas mode	0.00003	0.00009	1.0000	15	100
October 22, 2018; measurement of test samples and method blanks from 1st test (days 9, 10, 11)
0.08 – 4.0 (total of 10 calibration points, 10 used + blank)	^209Bi in helium mode	0.00012	0.00035	1.0000	19	100
November 08, 2018; measurement of test samples and method blanks from 2nd test (days 1, 2, 3)
0.5 – 250 (total of 11 calibration points, 11 used + blank)	^209Bi in no gas mode	0.00006	0.00019	0.99992	33	100
November 22, 2018; measurement of test samples and method blanks from 2nd test (days 15, 16, 17)
0.100 – 10.0 (total of 9 calibration points, 9 used + blank)	^209Bi in no gas mode	0.00035	0.00105	1.0000	17	100
December 13, 2018; measurement of test samples and method blanks from 2nd test (days 36, 37, 38)

 

Recovery/validation data bismuth of measurement series

Element Bi	Recovery [%]	SD [%]	n (total)	n (valid)
January 22, 2018(non GLP preliminary test)
Roth 25 µg/L	114	4	6	4^#
TMDA-70.2 Certified value of 13 µg/L	110	6	6	4*
Recalibration 100 µg/L	103	4	6	6
Roth 250 µg/L	115	3	6	3**
October 12, 2018 (1st main test)
Recalibration 1 µg/L	98.6	0.5	4	4
Roth 0.075 µg/L	103	1	4	4
Roth 0.75 µg/L	104	<1	4	4
October 22, 2018 (1st main test)
Recalibration 1 µg/L	98.9	0.8	4	4
TMDA-52.4 certified with 11.1 µg/L Nominal value 0.555 µg/L (dilution 20-fold)	114	1	4	4
Roth 0.2 µg/L	102	2	4	4
Roth 2 µg/L	103	1	4	4
November 08, 2018 (2nd main test)
Roth 1 µg/L	97.5	2.7	6	6
TMDA-52.4 certified with 11.1 µg/L Nominal value 5.55 µg/L (dilution 2-fold)	110	1	6	6
Roth 10 µg/L	97.6	0.6	6	6
Recalibration 50 µg/L	102	1	6	6
Roth 100 µg/L	107	2	6	6
November 22, 2018 (2nd main test).
TMDA-52.4 certified with 11.1 µg/L Nominal value 0.555 µg/L (dilution 20-fold)	111	1	4	4
Roth 0.75 µg/L	100	<1	3	3
Recalibration 5 µg/L	99.2	2.6	4	4
Roth 7.5 µg/L	95.9	0.3	3	3
December 13, 2018 (2nd main test).
TMDA-52.4 certified with 11.1 µg/L Nominal value 0.555 µg/L (dilution 20-fold)	111	2	4	4
Roth 0.75 µg/L	98.6	0.2	3	3
Recalibration 5 µg/L	99.0	1.0	4	4
Roth 7.5 µg/L	100	1	5	5

# Two samples were at 119 %

* Two samples were at 116 and 117 %

** Three samples were at 116, 117 an 119 %

 

Selected samples were fortified with known amounts of bismuth (by standard addition of commercial standard) to determine the standard recoveries of this element.

Fortification of measurement series

Sample	Element	Measured concentra-tion [µg/L]	Calculated level after addition [µg/L]	Recovery [µg/L] / [%]
October 12, 2018 (1st main test)
Vessel 3 sample a 1d – 1 mL sample and 4 mL 0.50 µg/L standard	Bi	0.942	0.588	0.597 / 102
Vessel 4 sample a 2d – 1 mL sample and 4 mL 0.75 µg/L standard	Bi	0.128	0.626	640 / 102
Vessel 5 sample a 3d – 1 mL sample and 4 mL1.0 µg/L standard	Bi	1.03	1.01	1.02 / 102
October 22, 2018 (1st main test)
Vessel 3 sample a 9d – 1 mL sample and 4 mL 2 µg/L standard	Bi	0.761	1.75	1.68 / 96.1
Vessel 4 sample a 10d – 1 mL sample and 4 mL 0.8 µg/L standard	Bi	0.067	0.653	0.652 / 99.7
Vessel 5 sample a 11d – 1 mL sample and 4 mL 3 µg/L standard	Bi	1.62	2.72	2.70 / 99.1
November 08, 2018 (2nd main test)
Vessel 3 sample a 1d – 1 mL sample and 4 mL 1 µg/L standard	Bi	0.682	0.936	0.955 / 102
Vessel 4 sample a 2d – 1 mL sample and 4 mL 2.5 µg/L standard	Bi	0.037	2.01	1.85 / 92.2
Vessel 5 sample a 3d – 1 mL sample and 4 mL 2.5 µg/L standard	Bi	0.053	2.01	1.83 / 91.0
November 22, 2018 (2nd main test)
Vessel 3 sample a 15d – 1 mL sample and 4 mL 0.75µg/L standard	Bi	0.365	0.673	0.662 / 98.4
Vessel 4 sample a 16d – 1 mL sample and 4 mL 1 µg/L standard	Bi	0.760	0.952	0.933 / 98.0
Vessel 5 sample a 17d – 1 mL sample and 4 mL 2.5 µg/L standard	Bi	0.046	2.01	1.97 / 98.0
December 13, 2018(2^ndmaintest)
Vessel 3 sample a 36d – 1 mL sample and 4 mL 0.75 µg/L standard	Bi	0.194	0.639	0.619 / 96.8
Vessel 4 sample a 37d – 1 mL sample and 4 mL 1 µg/L standard	Bi	0.423	0.885	0.867 / 98.0
Vessel 5 sample a 38d – 1 mL sample and 4 mL 7.5 µg/L standard	Bi	0.174	6.03	5.77 / 95.7

Results of the analytical measurement

1st main test:

The bismuth analysis was performed by ICP-MS. The measured background concentrations were less than 0.3 ng/L and far below the measured bismuth concentrations in test item solution. Hence, no background correction was performed.

Bismuth concentrations in the range of 0.050 – 2.40 µg Bi /L were measured during the 11-d test. A solubility equilibrium or a consistent increase or decrease of concentrations was not observed. Thus, the overall mean of bismuth concentration measured between day 1 and 11 (three replicates, n = 36) was calculated and amounts to 0.79 µg/L ± 0.593 µg/L, corresponding to a bismuth(3+) neodecanoate concentration of 2.76 µg/L ± 2.07 µg/L (bismuth concentration 28.6 %).

Mean Bi concentrations (days 1 - 11)

1. Replicate: 1.01 ± 0.20 µg/L
2. Replicate: 0.16 ± 0.059 µg/L
3. Replicate: 1.20 ± 0.64 µg/L
Mean: 0.790 ± 0.593 µg/L

Mean Bismuth(3+) neodecanoate concentrations (days 1 - 11)

1. Replicate: 3.53 ± 0.71 µg/L
2. Replicate: 0.56 ± 0.206 µg/L
3. Replicate: 4.19 ± 2.23 µg/L
Mean: 2.76 ± 2.07 µg/L

2nd main test:

The measured background concentrations were less than 7 ng/L and far below the measured bismuth concentrations in solutions containing test item. Hence, a background correction was not performed.

Bismuth concentrations of individual samples ranged from 0.01 – 0.96 µg Bi /L over the course of the 38-d test. A solubility equilibrium or a consistent increase or decrease of concentrations was also not observed. Thus, the overall mean of bismuth concentrations measured from day 1 until day 38 (three replicates, n = 54) was calculated and amounts to 0.271 µg/L ± 0.291 µg/L, corresponding to a bismuth(3+) neodecanoate concentration of 0.949 µg/L ± 1.018 µg/L (bismuth concentration 28.6 %).

Mean Bi concentrations (days 1 - 38)

1. Replicate: 0.396 ± 0.250 µg/L
2. Replicate: 0.351 ± 0.362 µg/L
3. Replicate: 0.068 ± 0.060 µg/L
Mean: 0.271 ± 0.291 µg/L

Mean Bismuth(3+) neodecanoate concentrations (days 1 - 38)

1. Replicate: 1.38 ± 0.87 µg/L
2. Replicate: 1.23 ± 1.27 µg/L
3. Replicate: 0.238 ± 0.211 µg/L

Mean: 0.949 ± 1.018 µg/L

Conclusions:

The water solubility of bismuth(3+) neodecanoate was determined in two independent tests. In each test, three replicates were used. The test period was 11 days and 38 days, respectively. The measured bismuth concentrations of individual samples vary between 0.05 - 2.40 µg/L and 0.014 – 0.964 µg/L in the 1st and 2nd test, respectively. Since a solubility equilibrium or a consistent increase or decrease of measured bismuth concentrations was not observed in either test, the respective overall means were calculated with 0.790 ± 0.593 µg/L Bi (1st test over 11 days, three replicates, n = 36) and 0.271 ± 0.291 µg/L Bi (2nd test over 38 days, three replicates, n = 54). Conservatively, the higher value is selected corresponding to a bismuth(3+) neodecanoate concentration of 2.76 µg/L ± 2.70 µg/L considering a bismuth concentration of 28.6 %.
Thus, under the conditions of the test (under exclusion of CO2 and O2, inert gas; three replicates), the water solubility of bismuth(3+) neodecanoate is estimated with 2.76 ± 2.70 µg/L.

Description of key information

The water solubility of bismuth(3+) neodecanoate is 2.76 ± 2.70 µg/L.

Key value for chemical safety assessment

Water solubility:

2.76 µg/L

at the temperature of:

20.1 °C

Additional information

The water solubility of bismuth(3+) neodecanoate was determined in two independent tests. In each test, three replicates were used. The test period was 11 days and 38 days, respectively. The measured bismuth concentrations of individual samples vary between 0.05 - 2.40 µg/L and 0.014 – 0.964 µg/L in the 1st and 2nd test, respectively. Since a solubility equilibrium or a consistent increase or decrease of measured bismuth concentrations was not observed in either test, the respective overall means were calculated with 0.790 ± 0.593 µg/L Bi (1st test over 11 days, three replicates, n = 36) and 0.271 ± 0.291 µg/L Bi (2nd test over 38 days, three replicates, n = 54). Conservatively, the higher value is selected corresponding to a bismuth(3+) neodecanoate concentration of 2.76 µg/L ± 2.70 µg/L considering a bismuth concentration of 28.6 %.

Thus, under the conditions of the test (under exclusion of CO2 and O2, inert gas; three replicates), the water solubility of bismuth(3+) neodecanoate is estimated with 2.76 ± 2.70 µg/L.