Copper(2+) 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:

2018-04-03 to 2018-05-08

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 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:

signed 2016-05-31

Type of method:

flask method

Specific details on test material used for the study:

State of matter and appearance: Green viscous liquid
Storage conditions: Room temperature tightly closed

Key result

Water solubility:

183 mg/L

Conc. based on:

test mat. (dissolved fraction)

Loading of aqueous phase:

1 g/L

Incubation duration:

35 d

Temp.:

20 °C

pH:

>= 5.86 - <= 5.92

Remarks on result:

other: S.D. ± 2 mg/L

Remarks:

calculated on mean measured dissolved copper concentration of 23.6 mg/L and a copper content of 12.89 %.

Water solubility:

23.6 mg/L

Conc. based on:

element (dissolved fraction)

Remarks:

Cu

Loading of aqueous phase:

1 other: g test item /L

Incubation duration:

35 d

Temp.:

20 °C

pH:

>= 5.86 - <= 5.92

Remarks on result:

other: S.D.: ± 0.2 mg/L

Details on results:

- Mean temperature: 20.0 ± 0.3 °C
- pH values: solutions containing the test item: 5.8 – 6.1, method blanks: 5.6 - 6.4
- Oxygen concentration: No oxygen was measurable
- Turbidity: The turbidity in samples from test was <1 NTU indicating that filtered solutions did not contain any undissolved material immediately after filtering, excluding test item loaded vessels after 35 days. Turbidity of test item loaded solutions after filtration of both vessels after 35 days was not measured by mistake. This is not critical because throughout the test the turbidity was always < 1 NTU.

Analytical measurements
The increase of concentrations from day 34 to day 35 was less than 15 %. Thus, the validity criteria as foreseen in OECD 105 and Regulation 440/2008/EC A.6 were fulfilled.
Copper concentrations increased during the test from day 1 and 35 and even slightly from day 34 to day 35. Thus, an equilibrium could not be observed. However, further sampling was not possible. Therefore, the water solubility of the test item is estimated with 183 ± 2 mg/L after 35 days based on the measured dissolved copper concentration of 23.6 ± 0.2 mg Cu/L on day 35 and a copper content of 12.89 % in the test item according to: 23.6 ± 0.2 mg/L (measured dissolved Cu concentration) x 100 % / 12.89 % (amount of Cu in test item) = 183 ± 2 mg/L.

ICP-OES

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 Cu/L]	LOQ [μg Cu/L]	correlation coefficient	Sum of quality assurance samples	Recovery of quality assurance samples [%]
February 19, 2018; measurement of samples from non GLP preliminary test
0 – 1000 (total of 13 calibration points, 13 used + blank)	219.227	1.90	5.71	1.00000	20	100
April 26, 2018; measurement of test samples (21 d and 22 d) and method blanks
1 – 500 (total of 13 calibration points, 13 used + blank)	327.395	1.05	3.15	0.99997	10	100

Recovery/ validation data Copper of measurement series

Element Cu	Recovery [%]	SD [%]	n (total)	n (valid)
February 19, 2018 (non-GLP preliminary test)
TMDA-70.2 lot no. 0916 (dilution factor 10), nominal value Cu: 407 μg/L – diluted 40.7 μg/L	101	1.3	3	3
TMDA-70.2 lot no. 0916, nominal value Cu: 407 μg/L	102	3	4	4
Quality control standard (Roth) 75 μg/L	105	1	4	4
Quality control standard (Roth) 750 μg/L	103	<1	4	4
Recalibration standard 250 μg/L	99.5	1.0	4	4
April 26, 2018
TMDA-70.2 lot no. 0917 (dilution factor 2), nominal value Cu: 406 μg/L – diluted 203 μg/L	101	1.3	3	3
Quality control standard (Roth) 300 μg/L	106	1.2	3	3
Recalibration standard 100 μg/L	101	0.6	3	3

Fortification of measurement series on April 26, 2018.

Sample	element	measured concentration [μg/L]	calculated level after addition [μg/L]	recovery [μg/L] / [%]
Vessel 1 sample a after 22d – (dilution 100-fold); 1 mL of sample + 3 mL 400 μg/L standard	Cu	212	282	276 / 97.6

ICP-MS

ICP-MS 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 isotope and mode	LOD [μg Cu/L]	LOQ [μg Cu/L]	correlation coefficient	Sum of quality assurance samples	Recovery of quality assurance samples [%]
April 10, 2018; measurement of test samples (1 d, 2 d and 3 d) and method blanks
1– 500 (total of 13 calibration points, 13 used + blank)	^65Cu in high helium mode	0.004	0.012	1.000	13	100
April 19, 2018; measurement of test samples (13 d and 14 d) and method blanks
1 – 500 (total of 13 calibration points, 13 used + blank)	^63Cu in no gas mode	0.016	0.047	0.9999	10	100
May 07, 2018; measurement of method blanks (34 d)
1 – 500 (total of 13 calibration points, 13 used + blank)	^65Cu in high helium mode	0.021	0.061	0.9997	8	100
May 08, 2018; measurement of test samples (34 d and 35 d) and method blanks
1 – 500 (total of 13 calibration points, 13 used + blank)	^63Cu in helium mode	0.001	0.002	0.9999	13	100

Recovery/ validation data Copper of measurement series

Element Cu	Recovery [%]	SD [%]	n (total)	n (valid)
April 10, 2018
TMDA-70.2 lot no. 0917 (dilution factor 4), nominal value Cu: 406 μg/L – diluted 203 μg/L	104	5.1	4	4
Quality control standard (Roth) 250 μg/L	112	2.9	4	4
Recalibration standard 100 μg/L	101	1.6	4	4
April 19, 2018
TMDA-70.2 lot no. 0917 (dilution factor 4), nominal value Cu: 406 μg/L – diluted 101.5 μg/L	98.3	2.5	3	3
Quality control standard (Roth) 250 μg/L	106	4.4	3	3
Recalibration standard 100 μg/L	95.3	0.9	3	3
May 07, 2018
TMDA-70.2 lot no. 0917 (dilution factor 2), nominal value Cu: 406 μg/L – diluted 203 μg/L	96.7	0.4	2	2
Quality control standard (Roth) 400 μg/L	102	0.4	3	3
Recalibration standard 100 μg/L	102	1.6	3	3
May 08, 2018
TMDA-70.2 lot no. 0917 (dilution factor 2), nominal value Cu: 406 μg/L – diluted 203 μg/L	97.1	2.4	4	4
Quality control standard (Roth) 400 μg/L	99.4	2.6	4	4
Recalibration standard 100 μg/L	99.6	1.8	4	4

Fortification of measurement series

sample	element	measured concentration [μg/L]	calculated level after addition [μg/L]	recovery [μg/L] / [%]
April 10, 2018
Vessel 1 sample a after 3d – (dilution 100-fold); 1 mL of sample + 4 mL 300 μg/L standard	Cu	154	271	271 / 100
April 19, 2018
Vessel 1 sample a 13d – (dilution 100-fold); 1 mL sample 4 mL 400 μg/L standard	Cu	165	353	343 / 97.2
May 08, 2018
Vessel 1 sample a 35d – 1 mL sample 4 mL 400 μg/L standard	Cu	236	367	360 / 98.0

Mean dissolved copper concentrations of solutions containing the test item

Sampling [d]	sample	LOD [μg/L]	LOQ [μg/L]	Cu conc. per vessel ± SD [g/L]	Mean Cu conc. all vessels ± SD [g/L]	Variation / change between samplings [%]
1	Vessel 1	0.004	0.012	10.9 ± 0.3	10.2 ± 1.0	-
	Vessel 2	0.004	0.012	9.51 ± 0.20
2	Vessel 1	0.004	0.012	14.7 ± 0.1	14.2 ± 0.7	39.2
	Vessel 2	0.004	0.012	13.7 ± 0.1
3	Vessel 1	0.004	0.012	15.9 ± 0.8	15.2 ± 1.1	6.7
	Vessel 2	0.004	0.012	14.4 ± 0.5
13	Vessel 1	0.016	0.047	15.7 ± 1.2	16.8 ± 1.6	10.6
	Vessel 2	0.016	0.047	17.9 ± 0.5
14	Vessel 1	0.016	0.047	16.6 ± 0.1	17.7 ± 1.5	5.5
	Vessel 2	0.016	0.047	18.7 ± 1.1
21	Vessel 1	1.05	3.15	19.9 ± 0.1	20.6 ± 1.0	16.4
	Vessel 2	1.05	3.15	21.3 ± 0.1
22	Vessel 1	1.05	3.15	20.9 ± 0.4	20.8 ± 0.2	1.3
	Vessel 2	1.05	3.15	20.7 ± 0.7
34	Vessel 1	0.001	0.002	22.8 ± 0.3	23.3 ± 0.6	11.6
	Vessel 2	0.001	0.002	23.7 ± 0.1
35	Vessel 1	0.001	0.002	23.5 ± <0.1	23.6 ± 0.2	1.7
	Vessel 2	0.001	0.002	23.7 ± 0.4

Conclusions:

Under the conditions of this test (under exclusion of CO2 and O2, under inert gas; flask method; loadings of 1.00002 and 1.00216 g/L test substance in two replicates, respectively), a solubility equilibrium was not reached after day 35 of testing. The mean measured dissolved copper concentration on day 35 at 20.0 ± 0.3 °C is 23.6 ± 0.2 mg/L.
This corresponds to a water solubility of dissolved copper(2+) neodecanoate of 183 ± 2 mg/L, calculated on a copper content of 12.89 %.

Description of key information

The mean measured dissolved copper concentration on day 35 at 20.0 ± 0.3 °C is 23.6 ± 0.2 mg/L.This corresponds to a water solubility of dissolved copper(2+) neodecanoate of 183 ± 2 mg/L, calculated on a copper content of 12.89 %.

Key value for chemical safety assessment

Water solubility:

183 mg/L

at the temperature of:

20 °C