Neodecanoic acid, zirconium salt

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-11-20 to 2018-12-14

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

Type of method:

flask method

Specific details on test material used for the study:

State of matter and appearance: solid, white powder
Storage conditions: closed, dry, ambient temperature

Water solubility:

< 0.001 µg/L

Conc. based on:

element (dissolved fraction)

Remarks:

Zr

Loading of aqueous phase:

10 other: mg test item /L

Incubation duration:

>= 1 - <= 17 d

Temp.:

20 °C

pH:

>= 5.1 - <= 6.4

Remarks on result:

other: < LOD

Key result

Water solubility:

< 0.004 µg/L

Conc. based on:

test mat. (dissolved fraction)

Loading of aqueous phase:

10 mg/L

Incubation duration:

>= 1 - <= 17 d

Temp.:

20 °C

pH:

>= 5.1 - <= 6.4

Remarks on result:

other: Calculated based on a mean dissolved zirconium concenration of < 0.0012 µg/L(LOD) and a zirconium content of 31.13 %.

Details on results:

Temperature: mean temperature 20.0 ± 0.2 °C
Oxygen: No oxygen was detectable
pH: test solutions: 5.1 to 6.4; method blanks: 6.4 and 7.8
Turbidity: < 1 NTU indicating that filtered solutions did not contain any undissolved material

ICP-MS measurements with corresponding LOD/LOQ, correlation coefficient and sum of quality assurance samples and recovery.

Chosen isotope and gas mode	LOD [µg/L]	LOQ [µg/L]	correlation coefficient	Sum of quality assurance samples	Recovery of quality assurance samples [%]
November 30, 2018; measurement of test samples and method blanks (1, 2, 3d)
^90Zr[2]	0.0009	0.0027	1.0000	23	73.9
December 14, 2018; measurement of test samples and method blanks (15, 16, 17d)
^90Zr[3]	0.0012	0.0036	1.0000	23	100

 

Recovery/validation data zirconium of measurement series.

Element Zr	Recovery [%]	SD [%]	n (total)	n (valid)
November 30, 2018
QC LabKings single element standard 0.05 µg/L	84.0^#	20.9^#	4^#	3^#
Recalibration standard 0.1 µg/L	104	1.8	4	4
QC LabKings single element standard 0.5 µg/L	63.3^$	35.0^$	4^$	0^$
Recalibration standard 1 µg/L	98.6	0.6	4	4
QC LabKings single element standard 5 µg/L	76.4^§	45.2^§	4^§	3^§
December 14, 2018
QC LabKings single element standard 0.05 µg/L	101	8.3	4	4
Recalibration standard 0.1 µg/L	98.7	1.9	4	4
QC LabKings single element standard 0.5 µg/L	94.8	1.2	4	4
Recalibration standard 1 µg/L	98.7	1.5	4	4
QC LabKings single element standard 5 µg/L	96.3	0.6	4	4

^#Recovery of one sample is 52.8 %, due to a dilution mistake. This is not critical because > 60 % of all QA / QC samples are within 100 ± 15 %.

^$Recoveries are not within 100 ± 15 %, probably due to dilution mistakes. This is not critical because > 60 % of all QA / QC samples are within 100 ± 15 %.

^§Recovery of one sample is 8.7 %, due to a dilution mistake. This is not critical because > 60 % of all QA / QC samples are within 100 ± 15 %.

Fortification of measurement series

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

Sample	Element	Measured concentration [µg/L]	Calculated level after addition [µg/L]	Recovery [µg/L] / [%]
November 30, 2018.
Vessel 3 sample a 1d - 1 mL sample 4 mL 0.1 µg/L standard	Zr	<LOD => 0.001^#	0.080	0.074 / 92.6
Vessel 4 sample a 2d - 1 mL sample 4 mL 0.5 µg/L standard	Zr	<LOD => 0.001^#	0.400	0.375 / 93.8
Vessel 5 sample a 3d - 1 mL sample 4 mL 0.8 µg/L standard	Zr	<LOD => 0.001^#	0.600	0.559 / 93.2
December 14, 2018
Vessel 3 sample a 1d - 1 mL sample 4 mL 0.5 µg/L standard	Zr	<LOD => 0.001#	0.400	0.377 / 94.3
Vessel 4 sample a 2d - 1 mL sample 4 mL 0.8 µg/L standard	Zr	<LOD => 0.001#	0.600	0.561 / 93.4
Vessel 5 sample a 3d - 1 mL sample 4 mL 1.0 µg/L standard	Zr	<LOD => 0.001#	0.800	0.761 / 95.1

 

Result of the analytical measurement

Zirconium concentrations in test item solutions were measured at all sampling days (1, 2, 3, 15, 16 and 17) < LOD (≤0.0012 µg/L). Finally, the dissolved amount is therefore given as ‘< 0.0012 µg/L’ (measured dissolved Zr) and ‘< calculated value’ (for test item dissolved).

Samples were taken after 1 d, 2 d and 3 d. To ensure the zirconium concentration in test solution stays within < LOD, sampling was repeated after 15, 16 and 17 days.

Zirconium concentrations of method blanks were also measured < LOD (≤0.0012 µg/L).

The determination of the water solubility of Neodecanoic acid, zirconium salt is based on mean dissolved Zr concentrations of all sampling days and a zirconium content of 31.13 % in the test item. The amount of dissolved Neodecanoic acid, zirconium salt was calculated as follows:

 

Mean Zr concentrations:

Mean oftriplicate vessels:    < 0.0012 µg/L (< LOD)

 

The calculated water solubility ofNeodecanoic acid, zirconium salt is: Mean of concentration x 100 % / 31.13 %:

Mean oftriplicate vessels :   < 0.0038 µg/L

Conclusions:

Under the conditions of this test (under exclusion of CO2 and O2, under inert gas; flask method; loadings of ~10 mg/L) the zirconium concentration of all test solutions at all sampling days (1, 2, 3, 15 ,16 and 17 days) were measured to be < LOD (< 0.0012 µg/L) at 20.0 ± 0.2 °C; determined as dissolved zirconium, separated by filtration from undissolved test item. This corresponds to a water solubility of Neodecanoic acid, zirconium salt of < 0.0038 µg/L, calculated on a zirconium content of 31.13 %.
The pH of test solutions ranged from 5.1 to 6.4. The pH of method blanks remained between 6.4 and 7.8.

Description of key information

Neodecanoic acid, zirconium salt has a water solubility of < 0.0038 µg/L at 20 °C.

Additional information

Under the conditions of this test (under exclusion of CO2 and O2, under inert gas; flask method; loadings of ~10 mg/L) the zirconium concentration of all test solutions at all sampling days (1, 2, 3, 15 ,16 and 17 days) were measured to be < LOD (< 0.0012 µg/L) at 20.0 ± 0.2 °C; determined as dissolved zirconium, separated by filtration from undissolved test item. This corresponds to a water solubility of Neodecanoic acid, zirconium salt of < 0.0038 µg/L, calculated on a zirconium content of 31.13 %. The pH of test solutions ranged from 5.1 to 6.4. The pH of method blanks remained between 6.4 and 7.8.