Reaction mass of sulfonium, dodecylethyl[1-(2-methoxy-2-oxoethyl)-3-oxo-3-(pentyloxy)propyl]-, tetrafluoroborate(1-)(1:1) and sulfonium, dodecylethyl[3-methoxy-1-(2-methoxy-2-oxoethyl)-3-oxopropyl]-, tetrafluoroborate(1-)(1:1) and sulfonium, dodecylethyl[3-oxo-1-[2-oxo-2-(pentyloxy)ethyl]-3-(pentyloxy)propyl]-, tetrafluoroborate(1-)(1:1)

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:

disregarded due to major methodological deficiencies

Study period:

20-Oct-2003 to 24-Oct-2003

Reliability:

3 (not reliable)

Rationale for reliability incl. deficiencies:

significant methodological deficiencies

Remarks:

The method of making the test solutions, sonication, is expected to produce toxic byproducts.

Qualifier:

according to guideline

Guideline:

OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)

Version / remarks:

1984

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method C.2 (Acute Toxicity for Daphnia)

Version / remarks:

1992

Deviations:

no

GLP compliance:

not specified

Specific details on test material used for the study:

Batch No.: AH 4/64
Expiration Date: 1-March-2004
Purity: > 90%
Storage conditions: Room temperature (~ 20°C), in the dark, away from direct sunlight

Analytical monitoring:

no

Details on test solutions:

PREPARATION AND APPLICATION OF TEST SOLUTION (especially for difficult test substances)
- Method:Test solutions were prepared as water soluble fractions (WAFs) individually by adding the weighed amount of MTDID 47403 to an appropriate amount of dilution water (test medium), then adding additional dilution water to make the final volume, except that the 0.46 mg/L loading was a dilution of the final 1.0 mg/L WAF. The control was prepared in a similar manner; however, no MTDID 47403 was added. Each solution was subjected to 15 minutes of sonication and intense stirring, followed by 48 h of stirring using a stir plate and stir bar at room temperature in the dark. Solutions were then filtered through a 0.45 μm membrane filter.
- Controls:Test water without test substance
- Chemical name of vehicle: No vehicle
- Evidence of undissolved material: All test solutions were clear and colorless throughout the test

Test organisms (species):

Daphnia magna

Details on test organisms:

TEST ORGANISM
- Strain/clone: Daphnia magna Straus, Clone 5, originally obtained from the University of Sheffield, UK 11 years prior to the test
- Source: Internal stock
- Age: At the start of the test, organisms were 6-24 hours old and were not first brood progeny
- Feeding during test: no
ACCLIMATION
- Acclimation period: None, organisms were cultured under conditions (reconstituted water quality, light, temperature) identical to that used in the test

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

48 h

Hardness:

250 mg/L as CaCO3

Test temperature:

20 -21 °C

pH:

7.8 - 8.0

Dissolved oxygen:

8.3 - 8.5 mg/L

Nominal and measured concentrations:

Nominal only (loading rates): Control, 0.46, 1.0, 2.2, 4.6, 10, and 22 mg/L

Details on test conditions:

TEST SYSTEM
- Test vessel: 100 mL covered glass beakers filled with 50 mL test medium
- Type: closed
- Aeration: None
- No. of organisms per vessel: 5
- No. of vessels per concentration (replicates): Four
- No. of vessels per control (replicates): Four

TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: Reconstituted test water made from analytical grade salts and purified water.
CaCl2 x 2H2O: 2.0 mM (= 294.0 mg/L)
MgSO4 X 7H2O: 0.5 mM (= 123.0 mg/L)
NaHCO3: 0.75 mM (= 65.0 mg/L)
KCI: 0.075 mM (= 5.8 mg/L)

- Alkalinity: 0.8 mM
- Ca/Mg ratio: 4:1 (molarity)

OTHER TEST CONDITIONS
- Adjustment of pH: No
- Photoperiod: 16-h light: 8-h dark with 30 minute transition period.
- Light intensity: 200 - 1200 Lux

EFFECT PARAMETERS MEASURED (with observation intervals if applicable) : Immobilization at 24 and 48 hours

RANGE-FINDING STUDY
- Results used to determine the conditions for the definitive study: Test concentrations based on rangefinder, results not in study report.

Reference substance (positive control):

yes

Remarks:

Potassium dichromate tested as a positive control at least once a year to demonstrate satisfactory test condtions (results not in study report).

Key result

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

7 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other:

Remarks:

EC50 confidence limits, 4.6 to 10 mg/L

Details on results:

- Mortality of control: None
- Other adverse effects control: None
- Abnormal responses: None
- Any observations (e.g. precipitation) that might cause a difference between measured and nominal values: None. Test solutions were clear and colorless throughout the test.
- Effect concentrations exceeding solubility of substance in test medium: Not applicable - MTDID 47403 hydrolyzes in water

Results with reference substance (positive control):

Not included in study report

Reported statistics and error estimates:

The EC50 value could not be calculated by Probit Analysis or Moving Average Interpolation due to the steep concentration -effect relationship. Instead the EC50 was determined as the biometric mean value of the two consecutive test concentrations with 0% and 100% immobility and the confidence interval as the test concentrations with 0% and 100% immobility.

Table 1, Effects during the Daphnia acute toxicity test

Nominal (loading) concentration (mg/L)	Number organisms tested	Number immobile at 24 h	Percent immobile at 24 h	Number immobile at 48 h	Percent immobile at 48 h
Control (0)	20	0	0	0	0
0.46	20	0	0	0	0
1.0	20	0	0	0	0
2.2	20	0	0	0	0
4.6	20	0	0	0	0
10	20	20	100	20	100
22	20	20	100	20	100

Validity criteria fulfilled:

yes

Remarks:

<10% immobilization in controls (0%), ≥3 mg/L DO in all test vessels (≥8.2 mg/L)

Conclusions:

The 48-h EC50 (immobilization) of MTDID 47403 to Daphnia magna was 7.0 mg/L from a test conducted according to OECD TG 202. This result is not considered reilable because MTDID 47403 is hydrolytically active and is expected to have formed toxic byproducts during sonication, but without analytical confirmation, actual exposures cannot be determined.

Executive summary:

The 48-hour EC50 of MTDID 47403 to Daphnia magna was examined in a static test conducted according to OECD TG 202. Results are based on nominal concentrations, with test solutions prepared as individual water accommodated fractions (WAFs). Test substance concentrations were not confirmed analytically. No immobilization was observed in the control samples or at the 0.46, 1.0, 2.2 and 4.6 mg/L loading rates after 48 hours. At 10 mg/L and 22 mg/L 100% immobilization was observed after 24 and 48 h.  The 48-hour EC50 was determined to be 7.0 mg/L based on the nominal loading rates. The test substance is hydrolytically active and is expected to have formed toxic byproducts during sonication. Without analytical confirmation, actual exposures cannot be determined. Therefore, this study is considered not reliable.

Reference 2

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Qualifier:

according to guideline

Guideline:

OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)

Deviations:

no

GLP compliance:

yes

Specific details on test material used for the study:

Dodecyl methyl sulfide is used within this study as a surrogate for dodecyl ethyl sulfide, which is a hydrolysis product of MTDID 47403. Dodecyl ethyl sulfide is not commercially available.
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Sigma-Aldrich, Batch Number MKBW6054V
- Physical state: colorless, liquid
- Quality Release Date: 12JAN2016
- Purity: 97.8%
- Storage condition of test material: room temperature

Analytical monitoring:

yes

Details on sampling:

- Concentrations: negative control and saturated solution
- Volume: 3 mL for the regular samples and 1.5 mL for quality control (QC) samples
- Sampling method: Duplicate samples for analysis, and duplicate reserve samples, were taken from the approximate center of the test vessels. Two extra samples were taken from the limit concentration for analytical QC, and two reserve QC samples were also taken. Samples were taken at test initiation (T = 0 h) and test completion (T= 48 h).
- Sample storage conditions before analysis: Samples were transferred to the analytical laboratory at the test facility on the day of sampling for extraction then stored in a freezer (≤ -15°C) until analyses.

Vehicle:

no

Details on test solutions:

PREPARATION AND APPLICATION OF TEST SOLUTION
- Method: The batch of dodecyl methyl sulfide tested was a colorless liquid which was not completely soluble in test medium at the initially prepared loading rate. Preparation of test solutions started with a loading rate of 100 mg/L (200.1 mg in 2 liters) applying a two-day period of gentle magnetic stirring to ensure maximum dissolution of the test item in medium. The obtained mixture was allowed to settle for an overnight period. Thereafter, the aqueous Saturated Solution (SS) was collected by means of siphoning and used as the highest test concentration.
- Controls: Blank only
- Evidence of undissolved material (e.g. precipitate, surface film, etc.): Test solutions were clear and colorless at the end of the preparation procedure.

Test organisms (species):

Daphnia magna

Details on test organisms:

TEST ORGANISM
- Common name: Water flea
- Strain/clone: Daphnia magna (Straus, 1820), at least third generation, obtained by a cyclical parthenogenesis under specified breeding conditions.
- Source: In-house laboratory culture with a known history.
- Age of parental stock: > 2 weeks to < 4 weeks
- Age at study initiation: < 24 hrs
- Feeding during test: No
- Culturing: Adult daphnids were cultured in M7 medium (adjusted ISO medium plus trace elements, micronutrients, and vitamins). Adult daphnids in the cultures were held for at least 14 days, and were not more than 4 weeks old prior to collection of the juveniles for testing. During the period preceding the test, water temperatures were 18 - 22°C. Daphnids in the cultures were fed daily a suspension of freshwater algae. The adults were fed prior to test initiation, but neonates were not fed during the test.
- Health: Daphnids originated from a healthy stock, 2nd to 5th brood, showing no signs of stress suchas mortality >20%, presence of males, ephippia or discoloured animals and there was no delay in the production of the first brood.

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

48 h

Hardness:

180 mg/L CaCO3

Test temperature:

19 °C to 21 °C

pH:

8.0 to 8.3

Dissolved oxygen:

8.7 mg/L to 9.4 mg/L

Nominal and measured concentrations:

Nominal: 100 mg/L loading level (100% SS), 56% SS, 32% SS, 18% SS, 10% SS, Control (Blank)
Measured: Only the 100 mg/L (100% SS) loading level and the blank were analyzed. At 100 mg/L measured concentrations were estimated in the range of 0.0087-0.011 mg/L at the start of the test, which decreased below the LOD (0.0066 mg/L) after 48 hours. In the control samples, measured concentrations were below the LOD (0.0066 mg/L). Based on the measured initial concentrations in the 100 mg/L loading samples from this test and previous test samples, an estimated actual concentration of 0.01 mg/L was used for expressing effect parameters.

Details on test conditions:

TEST SYSTEM
- Test vessel: 60 mL glass vessels
- Fill volume: 50 mL volume
- Aeration: no
- No. of organisms per vessel: five
- No. of vessels per concentration (replicates): four
- No. of vessels per control (replicates): four

TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water:adjusted ISO medium prepared using reverse-osmosis purified water (GEON Waterbehandeling, Berkel-Enschot, The Netherlands)
CaCl2.2H2O - 211.5 mg/L
MgSO4.7H2O - 88.8 mg/L
NaHCO3 - 46.7 mg/L
KCl - 4.2 mg/L
- Culture medium different from test medium: Yes, culture medium was M7 (adjusted ISO medium with addition of M7 trace elements, micronutrients, and vitamins).

OTHER TEST CONDITIONS
- Adjustment of pH: No
- Photoperiod: 16 hours daily

EFFECT PARAMETERS MEASURED: immobilization (including mortality) observed at 24 and 48 hours

RANGE-FINDING STUDY
- Test concentrations: 0 mg/L (control) and saturated solution (100 mg/L loading rate)
- Results used to determine the conditions for the definitive study: yes

Reference substance (positive control):

yes

Remarks:

Potassium dichromate (K2CrO7)

Key result

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

> 100 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other: based on loading level of 100 mg/L, which is above the water solubility of dodecyl methyl sulfide.

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

> 0.01 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other: estimated from measured initial concentrations from several tests

Details on results:

Test was conducted twice.
First test:
- Mobility: no immobilization observed (One Daphnid was observed trapped at the surface of the test solutions at 24 hours. This organism were reimmersed into its respective solution before recording of mobility.)
- Mobility of control: no immobilization observed
- Other adverse effects: no other signs of disease or stress
Second Test:
- Mobility: no immobilization observed (Daphnids were observed trapped at the surface of the test solutions at 24 and 48 hours. These organisms were reimmersed into the respective solutions before recording of mobility.)
- Mobility of control: no immobilization observed (At 24 hours one daphnid was observed trapped at the surface of a control vessel. This organism was reimmersed into the solution before recording of mobility.)
- Other adverse effects: no other signs of disease or stress
- Effect concentrations exceeding solubility of substance in test medium: yes

Results with reference substance (positive control):

- Results with reference substance valid? Yes
- Dose-response test: Yes
- ECx: 48-hr EC50 = 0.33 mg/L (95% CI, 0.29 mg/L to 0.38 mg/L)
- Other: The sensitivity of Daphnia magna originating from the batch used in this test, for potassium dichromate fell within the expected range of sensitivity observed during previous years (n > 60; 48-hr EC50 between 0.3 and 1.0 mg/L.) The reference substance test was conducted within one month of the testing of dodecyl methyl sulfide.

Validity criteria fulfilled:

yes

Remarks:

Control immobilization was < 10% at the end of the test. The dissolved oxygen concentration was ≥ 3 mg/L in the control and test vessels at the end of the test.

Conclusions:

The 48-hour EC50 (immobilization) of dodecyl methyl sulfide to Daphnia magna exceeded a loading rate of 100 mg/L, which exceeded the maximum soluble concentration for dodecyl methyl sulfide in test medium. The test was conducted according to OECD TG 202.

Executive summary:

The 48-hour EC50 of dodecyl methyl sulfide to Daphnia magna was examined in a static test conducted according to OECD TG 202. Dodecyl methyl sulfide is used as a surrogate for dodecyl ethyl sulfide (not commercially available), a hydrolysis product of MTDID 47403. Two tests were conducted in which test solutions were prepared as the control (0 mg/L), a 100 mg/L loading level (water soluble fraction), along with dilutions of the 100 mg/L water soluble fraction. No immobilization of daphnids was observed in the controls, or any of the test solutions in either test. Dodecyl methyl sulfide was measured in initial samples of the 100 mg/L water soluble fraction, but were below the Limit of detection (0.0066 mg/L) at 48 hrs, and an estimated level of 0.01 mg/L dodecyl methyl sulfide was established for expressing the effect parameter (EC50 > 0.01 mg/L). The test was conducted according to internationally accepted test guidelines and was GLP compliant. It is reliable with restriction and suitable for Risk Assessment, Classification and Labeling, and PBT Analysis.

Reference 3

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

7 May - 21 June 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Qualifier:

according to guideline

Guideline:

OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)

Deviations:

no

GLP compliance:

yes

Specific details on test material used for the study:

Dimethyl glutaconate (CAS# 5164-76-1)
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 3M 668975
- Expiration date of the lot/batch: October 2018
- Form of test material: light yellow liquid

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Dry, well ventilated
- Stability under test conditions: Stable under recommended storage conditions

Dipentyl glutaconate
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 3M AH 21/057
- Expiration date of the lot/batch: October 2018
- Form of test material: colorless liquid

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: No special storage requirements
- Stability under test conditions: Stable

Analytical monitoring:

yes

Details on sampling:

- Concentrations: aliquots of each control and each total nominal test item loading rate collected at test initiation and at test completion
- Sampling method: Aliquots from test initiation were collected from the bulk test solutions. Aliquots from test completion were collected from pooled volumes of each of the control and test solution replicates.
- Sample storage conditions before analysis: Approximately 40 mL of each test solution and each control were collected in ~40 mL amber glass vials and stored refrigerated (2 °C to 8 °C) until analysis.

Vehicle:

no

Details on test solutions:

PREPARATION AND APPLICATION OF TEST SOLUTION
- Method: The test solutions were prepared as water accommodated fractions (WAF). The two test items were tested by adding both test items to each individual loading rate WAF vessel as a representation of the degradation products of MTDID 47403. The test items were weighed separately and added directly to ~900 mL (i.e., half volume) of daphnia water (dilution water) in a ~2 L glass aspirator bottle (WAF vessel), and the volume topped up to 1.8 L with daphnia water. The WAF control was prepared in a similar manner; however, no test items were added. Each solution was stirred slowly (~82 – 96 rpm, no vortex) using a magnetic stir bar and stir plate and covered to reduce contaminants. Stirring occurred for ~23 hours and no settling period was required.
WAF solutions were removed from the WAF vessel and collected in a glass holding vessel (e.g., ~2 L glass beaker) by draining through Teflon tubing fitted at the bottom third of the water column, discarding the first ~50 - 100 mL into an appropriate container.
- Controls: A negative control and a WAF control
- Evidence of undissolved material: At the time of preparation, the test item WAFs appeared clear and colourless with test item visible on the surface of the water. After the ~23 hour stirring period, there was no change in appearance. After collection, the solutions appeared clear and colourless with no visible test item.

Test organisms (species):

Daphnia magna

Details on test organisms:

TEST ORGANISM
- Source: in-house stock, original culture from Aquatic BioSystems (Fort Collins, CO, USA) , < 24 hours old
- Age of parental stock: Neonates were collected from appropriate culture weeks and pooled into one beaker per culture week
- Feeding during test: No

CULTURING
- Type and amount of food: approximately 4.0 mL of Pseudokirchneriella subcapitata (PKS) and 1.0 mL of yeast-cereal-grass fermented trout chow (YCT) three times per week. The neonates used in the test were fed approximately 3.0 mL of PKS prior to test initiation.
- Health during culture: brood showed no signs of stress such as mortality >20%, presence of males, ephippia or discoloured animals

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

48 h

Hardness:

92 mg/L

Test temperature:

19.3-20.4 °C

pH:

7.7-8.3

Dissolved oxygen:

8.5-9.1 mg/L

Nominal and measured concentrations:

Total nominal loading rates: 16.9, 33.9, 67.8, 135.5, and 271 mg Test Item/L
Nominal loading rates for Dimethyl glutaconate: 6.25, 12.5, 25, 50, and 100 mg/L
Nominal loading rates for Dipentyl glutaconate: 10.69, 21.4, 42.8, 85.5, and 171 mg/L

Details on test conditions:

TEST SYSTEM
- Test vessel: 250 mL glass beakers covered with Plexiglas
- Fill volume: 200 mL
- Aeration: No
- No. of organisms per vessel: Five
- No. of vessels per concentration (replicates): Four
- No. of vessels per control (replicates): Four

TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: 1.1439 g magnesium sulphate anhydrous, 1.3201 g calcium sulphate, 2.1120 g sodium bicarbonate, 0.0880 g potassium chloride, 10 mL of a 4 mg/L solution of Vitamin B12 and 40 mL of a 1 mg/L selenium solution (as sodium selenate solution) to 20 L of deionised water, aerated vigorously prior to use
- Alkalinity: 62 mg CaCO3/L
- Ca/mg ratio: 0.9
- Conductivity: 319

OTHER TEST CONDITIONS
- Adjustment of pH: no
- Photoperiod: 16 hours light : 8 hours dark with a 30 minute transition period
- Light intensity: 528 – 566 lux

EFFECT PARAMETERS MEASURED : Observations on immobilisation were recorded at 24 ± 1 and 48 ± 1 hours of exposure

RANGE-FINDING STUDY
- Test concentrations: 0, 0.1, 1.0, 10, and 100 mg Test Item/L for each test item, added in equal proportions.

Reference substance (positive control):

yes

Remarks:

zinc sulphate heptahydrate (CAS# 7446-20-0)

Key result

Duration:

48 h

Dose descriptor:

EL50

Effect conc.:

> 271 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other: for the combined test items

Details on results:

- Mobility: no immobilization of test organisms was observed
- Mobility of control: no immobilization observed

Results with reference substance (positive control):

- Results with reference substance valid? yes
- Limit test: no
- Dose-response test: yes
- ECx: 48-hour LC50 = 0.71 mg/L (95% CI: 0.41 - 1.22 mg/L)
- Other: The sensitivity of Daphnia magna originating from the batch used in this test, for zinc sulphate fell within the expected range of sensitivity observed previously (2 SD range of mean; 0.21 to 1.16 mg/L). The reference substance test was conducted within 2 weeks of initiation of the testing of mixed glutaconate esters.

Validity criteria fulfilled:

yes

Remarks:

The validity criteria of OECD TG 202 were fulfilled. Control immobilization was < 10% at the end of the test. The dissolved oxygen concentration was ≥ 3 mg/L in the control and test vessels at the end of the test.

Conclusions:

The 48-hour EL50 of mixed glutaconate esters to Daphnia magna was >271 mg/L, based on the total nominal loading rates of the combined test items (OECD 202).

Executive summary:

The 48-hour EL50 of mixed glutaconate esters (dimethyl glutaconate and dipentyl glutaconate) to Daphnia magna was examined in a static test conducted according to OECD 202. The test was conducted with total nominal loading rates of 16.9, 33.9, 67.8, 135.5, and 271 mg Test Item/L in addition to a negative control and a water accommodated fraction (WAF) control (0 mg/L). The two test items are stable hydrolysis products of the parent compound, MTDID 47403, and were tested together. At all concentrations levels, no immobilization of the daphnids was observed by 48 hours (48-hour EL50 > 271 mg/L). The test was conducted according to an internationally accepted test guideline and was GLP compliant but uses an incomplete set of hydrolysis products as methyl pentyl glutaconate was not available for testing; it is considered reliable with restrictions.

Reference 4

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

test procedure in accordance with national standard methods with acceptable restrictions

Qualifier:

equivalent or similar to guideline

Guideline:

other: EPA 600/4-90/027F, Methods for measuring the acute toxicity of effluents and receiving waters to freshwater and marine organisms.

Deviations:

not specified

GLP compliance:

not specified

Specific details on test material used for the study:

Sodium tetrafluoroborate obtained from Sigma-Aldrich, St. Louis, MO, USA

Analytical monitoring:

no

Vehicle:

no

Details on test solutions:

Stock solutions were prepared in water. Test concentrations (1 mg/L to 10,000 mg/L) were prepared by pipetting required volumes of stock solutions into known volumes of test water.

Test organisms (species):

Daphnia magna

Details on test organisms:

Daphnia magna neonates (age, 24 h) were born from parthogenic females grown in batch cultures maintained in groundwater-filled laboratory aquaria at 20 ± 2°C and a 16:8-h light:dark photoperiod with a 15-min transition period. Stock animals were originally obtained from Carolina Biological Supply (Burlington, NC, USA). Cultures were fed a mixture of pond water and Spirulina Dry Powder Microalga® (Petaluma, CA, USA).

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

48 h

Test temperature:

20 ± 1 °C in laboratory

pH:

recorded, but not reported

Dissolved oxygen:

recorded, but not reported

Nominal and measured concentrations:

Nominal concentrations ranged from 1 mg/L to 10,000 mg/L, but individual solution concentrations were not reported.

Details on test conditions:

TEST SYSTEM
- Test vessel: 250 mL glass beakers
- No. of organisms per vessel: eight
- No. of vessels per concentration (replicates): five
- No. of vessels per control (replicates): five

OTHER TEST CONDITIONS
- Photoperiod: 16:8 h light:dark

EFFECT PARAMETERS MEASURED: The number of living and dead neonates was noted at 24 and 48 h after the initiation of the test. Neonates observed as motionless and without a discernable heartbeat were considered to be dead.

Key result

Duration:

48 h

Dose descriptor:

LC50

Effect conc.:

4 766 mg/L

Nominal / measured:

nominal

Conc. based on:

test mat.

Basis for effect:

mortality

Remarks on result:

other: 95% confidence interval, 4228 mg/L to 5323 mg/L

Reported statistics and error estimates:

The LC50 value as well as the associated 95% confidence intervals (CIs) were obtained by fitting the dose–response curves to a normal model using the maximum-likelihood method. All analyses were performed using SAS® Version 8.02 statistical software (SAS, Cary, NC, USA).

Conclusions:

The 48-hour LC50 of sodium tetrafluoroborate to Daphnia magna is 4766 mg/L. Tetrafluoroborate is the anion of MTDID 47403, and forms immediately on dissociation.

Executive summary:

The toxicity of sodium tetrafluoroborate, to Daphnia magna was examined in a static test reported in a publication. Tetrafluoroborate is the anion of MTDID 47403, and forms immediately on dissociation. The test was reported to have been run according to United States Environmental Protection Agency (U.S. EPA) protocols, and the study seemed to have been conducted appropriately, although some details of the study were not reported. A 48-hr LC50 of 4766 mg/L (95% CI, 4228 - 5323 mg/L) was reported. Although some details of the study were not reported, the study was conducted according to national standard methods, and is considered reliable with acceptable restrictions. The result may be used in a weight of evidence for risk assessment, Classification & Labelling, and PBT analysis.

Description of key information

MTDID 47403 hydrolyzes rapidly (T1/2 < 12 hrs) in water. Results from short-term toxicity tests (OECD TG 202) with the hydrolysis products of MTDID 47403 (or surrogate chemicals) all indicate that with Daphnia magna the 48-hour EC50 is > 100 mg/L.

Additional information

In a disregarded short-term toxicity to aquatic invertebrate study (OECD 202) with MTDID 47403 on Daphnia magna, the test substance could not be brought into solution. Test substance dispersions were made and filtered before use. Subsequently, information became available showing that MTDID 47403 is subject to rapid hydrolysis, forming degradants with differential water solubilities. Analysis after hydrolysis revealed several products: dimethyl, methyl pentyl, and dipentyl glutaconate esters in approximately 1:2:1 molar ratio, dodecyl ethyl sulfide, and tetrafluoroborate. Short-term toxicity testing results relating to these hydrolysis products follow.

The 48-hour EC50 of glutaconate esters to Daphnia magna was examined in a test conducted according to OECD TG 202. Methyl pentyl glutaconate is not commercially available and was not tested. Instead, a 1:1 molar ratio mixture of dimethyl glutaconate and dipentyl glutaconate was used to create water accomodated fractions (WAFs). Dimethyl glutaconate concentration in the WAFs was confirmed analytically up to 87.1 mg/L, while dipentyl glutaconate concentrations were saturated (ca. 0.8 mg/L) at all loading rates. No immobilization was seen at any loading rate up to 100 mg/L nominal dimethyl glutaconate. Methyl pentyl glutaconate is not expected to show aquatic toxicity by bracketing. The study followed an international standard method, and was GLP compliant; therefore, the test is considered reliable without restriction.

The 48-hour EC50 of dodecyl methyl sulfide (CAS# 3698-89-3) to Daphnia magna was examined in duplicate static, limit tests conducted according to OECD TG 202. Dodecyl methyl sulfide is a surrogate for dodecyl ethyl sulfide (not commercially available). Test solutions were prepared as the control (0 mg/L) and as a water soluble fraction at a loading rate of 100 mg/L. No immobilization was observed at the 100 mg/L loading rate or in the control. Dodecyl methyl sulfide was measured in initial samples of the 100 mg/L water soluble fraction, but were below the limit of detection (0.0066 mg/L) at 48 hrs, and an estimated level of 0.01 mg/L dodecyl methyl sulfide was established for expressing the effect parameter (EC50 > 0.01 mg/L). The study was well-documented, followed an international standard method, and was GLP compliant. The study is considered reliable with restrictions. The results from this study are considered suitable for Risk Assessment, Classification and Labeling, and PBT Analysis.

The toxicity of tetrafluoroboric acid, to Daphnia magna was examined as sodium tetrafluoroborate in a test conducted according USEPA protocols. The study seemed to have been conducted appropriately, although some details of the study were not reported. A 48-hr LC50 of 4766 mg/L (95% CI, 4228 - 5323 mg/L) was reported. Although some details of the study were not reported, the study was conducted according to national standard methods, and is considered reliable with acceptable restrictions. The result may be used in a weight of evidence for risk assessment, Classification & Labelling, and PBT analysis.

In addition, an earlier test on the parent compound showed unexpectedly high toxicity. However, the method of making test solutions, ultrasonication, is believed to have created toxic thiol byproducts that were responsible for the observed effects. The test lacked analytical confirmation of dose, and the actual exposures could not be determined. The study was deemed unreliable and is not considered further.