Ferrocholinate

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22. Apr. 2020 (Study Plan dated); 12. May 2020 (Experimental Starting Date); 14. May 2020 (Experimental Completion Date)

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)

Version / remarks:

Adopted 13. Apr. 2004

Deviations:

yes

Remarks:

Switching from M4-medium (husbandry) to Dilution water (test) has been shown not to cause any detrimental effects for test daphnia, therefore no acclimation period of 48 h was performed. This deviation can be considered uncritical.

Qualifier:

according to guideline

Guideline:

EU Method C.2 (Acute Toxicity for Daphnia)

Version / remarks:

Adopted 30. May 2008

Deviations:

yes

Remarks:

Switching from M4-medium (husbandry) to Dilution water (test) has been shown not to cause any detrimental effects for test daphnia, therefore no acclimation period of 48 h was performed. This deviation can be considered uncritical.

GLP compliance:

yes (incl. QA statement)

Specific details on test material used for the study:

PROPERTIES OF TEST MATERIAL
LogPow: < 0.3 (GLP study 19100101G930 performed at LAUS GmbH).

Analytical monitoring:

yes

Details on sampling:

After 24 and 48 hours, the immobilised daphnia were counted.

Vehicle:

yes

Details on test solutions:

A stock solution containing 100.8 mg/L test item in dilution water was prepared.

Test organisms (species):

Daphnia magna

Details on test organisms:

Species: Daphnia magna
Authority: STRAUS
Strain: Berlin
Sex: female
Age: between 0 and 24 hours
Origin: Umweltbundesamt Berlin
In-house breeding since 27. September 2007

Test type:

static

Water media type:

freshwater

Limit test:

yes

Total exposure duration:

48 h

Remarks on exposure duration:

Observation times: 24 and 48 hours

Test temperature:

19.8 – 21.3 °C

pH:

Blank control: 7.6 (0h) ; 7.6 (48h)
100 mg/L nominal concentration: 7.7 (0h) ; 7.1 (48h)

Dissolved oxygen:

O2 Concentration
Blank control: 8.6 mg/L (0h) ; 8.6 mg/L (48h)
100 mg/L nominal concentration: 8.6 mg/L (0h) ; 8.6 mg/L (48h)

Nominal and measured concentrations:

100 mg/L nominal concentration. The concentrations to be tested are based on the result of a non-GLP pre-test.

Details on test conditions:

TEST SYSTEM
- Specification
Species: Daphnia magna
Authority: STRAUS
Strain: Berlin
Sex: female
Age: between 0 and 24 hours
Origin: Umweltbundesamt Berlin
In-house breeding since 27. September 2007
- Animal Husbandry
Daphnia magna is bred in the LAUS GmbH throughout the year. The animals are kept for the use in toxicity tests. They multiply by parthenogenesis, thus being genetically identical. The keeping is performed similar to the method described in the OECD guideline, following SOP 115 002 01 („Zucht und Hälterung von Daphnia magna STRAUS“), version 13 from 11. Nov. 2019.
Vessels: preserving glasses, nominal volume 2 L
Medium: M4-Medium (recipe of ELENDT)
Food: green algae (Desmodesmus subspicatus)
Medium renewal: twice a week
Photo period: 16/8 hours, using neon tubes
Temperature: 20 +/- 2 °C

ANALYTICAL METHOD
- Sample preparation
500 µL of the test solution with the concentration of 100 mg/L was diluted with 9.4 mL dilution water (20x). Afterwards, 100 µL HNO3 (65 % in water) was added. For the blank control, 5 mL were acidified with 50 µL HNO3 (65 % water, Roth).
For the specificity determination, 1 % HNO3 (65 % water) was added to each sample.

CONDUCT OF THE STUDY
- Study performance
Using a glass tube, the daphnia were caught and lifted from the beaker. They were put on a small sieve, and the medium surrounding the animals was sucked off using absorbent paper. Immediately after that, the animals were put into the respective test solution.
The test vessels were left to stand for 48 hours. After 24 and 48 hours, the immobilised daphnia were counted. Daphnia are considered immobilised when they do not perform any movements or are only able to move their antennae when the beaker is gently agitated. Daphnia which are trapped at the sur-face of the test solution are also considered immobilised.
The pH, the concentration of dissolved oxygen and the content of the test item in the test vessels were measured at the beginning and at the end of the test.
- Experimental conditions
Treatments: 100 mg/L (nominal concentration). The concentrations to be tested are based on the result of a non-GLP pre-test.
Temperature: 19.8 – 21.3 °C
Photo period: 16/8 hours, using neon tubes
Duration: 48 hours
Observation times: 24 and 48 hours
Medium renewal: none
Test vessels: glass beakers, nominal volume 50 mL, tall shape
Replicates (Treatments): 4 vessels, each containing 20 ± 5 mL test solution and 5 daphnia
Replicates (Blank control): 4 vessels, each containing 20 ± 5 mL dilution water and 5 daphnia

Reference substance (positive control):

yes

Remarks:

Potassium dichromate K2Cr2O7 (CAS No. 7778-50-9)

Key result

Duration:

48 h

Dose descriptor:

NOEC

Effect conc.:

>= 100 mg/L

Nominal / measured:

nominal

Key result

Duration:

48 h

Dose descriptor:

LOEC

Effect conc.:

> 100 mg/L

Nominal / measured:

nominal

Key result

Duration:

24 h

Dose descriptor:

EC50

Effect conc.:

> 100 mg/L

Nominal / measured:

nominal

Key result

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

> 100 mg/L

Nominal / measured:

nominal

Results with reference substance (positive control):

Potassium dichromate K2Cr2O7 (CAS No. 7778-50-9) was used as positive control in a current reference study (202005R201). The 24h-EC50 value was determined as 2.01 mg/L. The value was within the request-ed range for the 24h-EC50 between 0.6 - 2.1 mg/L of potassium dichromate K2Cr2O7 as specified in the OECD guideline.

Validity criteria fulfilled:

yes

Remarks:

No observations were made which might cause doubts concerning the validity of the study outcome. All validity criteria were met. The result of the test is considered valid.

Conclusions:

Based on the values obtained for Acuatic Toxicity of Ferric Choline Citrate towards Daphnia magna, the classification criteria are not met.

Reference 2

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

05.03.2020

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

1. Software: QSAR Toolbox 3.4.0.17
2. Database version: 3.8.8/3.1.2
3. TPRF v.3.4.1.34101
4. SMILES used as input for the model: CN{+}(C)(C)(CCO).O{-}C(=O)CC1(O)CC(O)O{-}.[Fe]{3+}(.O{-}C(=O)CC(O)(CC(=O)O{-}.[Fe]{3+}2.O{-}C(=O)CC(O)(C(=O)O{-}.N{+}(C)(C)(C)CCO)C(=O)O{-}.2)C(=O)O{-}.N{+}(C)(C)(C)CCO).O{-}C1=O
5. The QSAR Toolbox prediction is attached in the "Attached justification".

Qualifier:

according to guideline

Guideline:

other: "GUIDANCE ON INFORMATION REQUIREMENTS AND CHEMICAL SAFETY ASSESSMENT / CHAPTER R.6: QSARS AND GROUPING OF CHEMICALS"

Version / remarks:

Published by ECHA (May, 2008).

Qualifier:

according to guideline

Guideline:

other: "GUIDANCE DOCUMENT ON THE VALIDATION OF (QUANTITATIVE) STRUCTURE-ACTIVITY RELATIONSHIPS MODELS"

Version / remarks:

Published by OECD (September, 2007).

Specific details on test material used for the study:

- CAS number: 1336-80-7
- Chemical name: 2-HYDROXYETHYL-TRIMETHYL-AMMONIUM,2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE
- SMILES: CN{+}(C)(C)(CCO).O{-}C(=O)CC1(O)CC(O)O{-}.[Fe]{3+}(.O{-}C(=O)CC(O)(CC(=O)O{-}.[Fe]{3+}2.O{-}C(=O)CC(O)(C(=O)O{-}.N{+}(C)(C)(C)CCO)C(=O)O{-}.2)C(=O)O{-}.N{+}(C)(C)(C)CCO).O{-}C1=O

Key result

Duration:

48 h

Dose descriptor:

EC50

Remarks:

Immobilisation in Daphnia magna

Effect conc.:

75.4 mg/L

Nominal / measured:

not specified

Conc. based on:

not specified

Basis for effect:

mobility

Remarks on result:

other: QSAR predicted value

Validity criteria fulfilled:

yes

Conclusions:

The value obtained for Acuatic Toxicity EC50 Immobilisation in Daphnia Magna from the prediction was 75.4 mg/L (48h).

Reference 3

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

05.03.2020

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

1. Software: QSAR Toolbox 3.4.0.17
2. Database version: 3.8.8/3.1.2
3. TPRF v.3.4.1.34101
4. SMILES used as input for the model: CN{+}(C)(C)(CCO).O{-}C(=O)CC1(O)CC(O)O{-}.[Fe]{3+}(.O{-}C(=O)CC(O)(CC(=O)O{-}.[Fe]{3+}2.O{-}C(=O)CC(O)(C(=O)O{-}.N{+}(C)(C)(C)CCO)C(=O)O{-}.2)C(=O)O{-}.N{+}(C)(C)(C)CCO).O{-}C1=O
5. The QSAR Toolbox prediction is attached in the "Attached justification".

Qualifier:

according to guideline

Guideline:

other: "GUIDANCE ON INFORMATION REQUIREMENTS AND CHEMICAL SAFETY ASSESSMENT / CHAPTER R.6: QSARS AND GROUPING OF CHEMICALS"

Version / remarks:

Published by ECHA (May, 2008).

Qualifier:

according to guideline

Guideline:

other: "GUIDANCE DOCUMENT ON THE VALIDATION OF (QUANTITATIVE) STRUCTURE-ACTIVITY RELATIONSHIPS MODELS"

Version / remarks:

Published by OECD (September, 2007).

Specific details on test material used for the study:

- CAS number: 1336-80-7
- Chemical name: 2-HYDROXYETHYL-TRIMETHYL-AMMONIUM,2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE
- SMILES: CN{+}(C)(C)(CCO).O{-}C(=O)CC1(O)CC(O)O{-}.[Fe]{3+}(.O{-}C(=O)CC(O)(CC(=O)O{-}.[Fe]{3+}2.O{-}C(=O)CC(O)(C(=O)O{-}.N{+}(C)(C)(C)CCO)C(=O)O{-}.2)C(=O)O{-}.N{+}(C)(C)(C)CCO).O{-}C1=O

Key result

Duration:

21 d

Dose descriptor:

EC50

Remarks:

Reproduction in Daphnia magna

Effect conc.:

33.4 mg/L

Nominal / measured:

not specified

Conc. based on:

not specified

Basis for effect:

other: Reproduction

Remarks on result:

other:

Remarks:

QSAR predicted value

Validity criteria fulfilled:

yes

Conclusions:

The value obtained for Acuatic Toxicity EC50 Reproduction in Daphnia Magna from the prediction was 33.4 mg/L (21 days).

Description of key information

The following results were determined for the test item Ferric Choline Citrate(species:Daphnia magna) according to OECD 202:

NOEC (48h): >= 100 mg/L

LOEC (48h): > 100 mg/L

EC50 (24h): > 100 mg/L

EC50 (48h): > 100 mg/L

The value obtained for Acuatic Toxicity EC50 Immobilisation in Daphnia Magna from the prediction was 75.4 mg/L (48 h).

The value obtained for Acuatic Toxicity EC50 Reproduction in Daphnia Magna from the prediction was 33.4 mg/L (21 days).

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

100 mg/L