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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Endpoint:
bioaccumulation in aquatic species, other
Type of information:
(Q)SAR
Adequacy of study:
supporting study
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE
EPI
2. MODEL (incl. version number)
EPI Suite 4.1 developed by USEPA
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES code was Si(C=C)(C=C)(C=C)(C=C)
Endpoint:
bioaccumulation in aquatic species, other
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 2019-11-28 to 2019-11-30
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 305 (Bioaccumulation in Fish: Aqueous and Dietary Exposure) -I: Aqueous Exposure Bioconcentration Fish Test
Version / remarks:
2012
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Specific details on test material used for the study:
Batch No.: 707001
Purity: 98.5%
Radiolabelling:
no
Details on sampling:
- Solution preparation:
0.09207g test item was weighed and dissolved in 50.0 mL acetonitrile, a stock solution of 1814 mg/L was achieved.

- Treated water: pH 6.0~8.5, temperature 22 ± 2 ℃

- Stability in the treated water-sealing:
2720 μL stock solution of 1814 mg/L was added into a glass vessel, and then 1000 mL treated water was added prior to sealing by a grinding cap. The solution was agitated for about 20 min to get a test solution of 5 mg/L.
Every three samples of about 10 mL was randomly transferred from one vessel, 1 mL of which was then determined by HPLC. The concentrations on the 0, 2, 4, 6, 18, 20 and 24 hour in the treated water were measured.
Two test solutions were prepared but in different time taking consideration of feasibility of sampling, one (No. 1 solution) was harvested on the 0, 18, 20 and 24 hour while the other one (No. 2 solution)was harvested on the 2, 4 , 6 and 24 hour.

- Stability in the treated water-open to air:
2720 μL stock solution of 1814 mg/L was added into a glass vessel, and then 1000 mL treated water was added prior to agitating for about 20 min to get a test solution of 5 mg/L. The solution wasopen to air in order to simulate real test condition.
Every three samples of about 10 mL was randomly transferred from one vessel, 1 mL of which was then determined by HPLC. The concentrations on the 0, 2, 4, 6, 18, 20 and 24 hour in the treated water weremeasured.
Remarks on result:
not determinable
Remarks:
The test item was not stable in treated water in condition similar with real exposure.

- Stability in the treated water-sealing:

The average concentrations in the No.1 solution on the 0, 18, 20 and 24 hour were 4.738, 3.807, 3.517 and 3.645 mg/L, respectively. Meanwhile, the average concentrations in the No.2 solution onthe 2, 4, 6 and 24 hour were 2.198, 1.512, 1.163mg/L and <LOQ, respectively.The results from these two solutions did not well agree with each other. So another test solution open to air was also prepared and harvested in regular intervals.

- Stability in the treated water-open:

The average concentrations in treated water onthe 0, 2, 4, 6 and 24 hour were 4.523, 2.102, 1.342, 0.940 mg/L and <LOQ, respectively. The residual percentages on the 0, 2, 4, 6 and 24 hour were 90.5%, 42.0%, 26.8%, 18.8% and 5.0%.

Validity criteria fulfilled:
not applicable
Conclusions:
Based on results from stability in open solution, the test item has lost about half of initial concentration within 2 hours (residual percentage was 42.0%); while only about 5.0 % can be maintained after 24 hours. So this test item was considered as not stable in treated water in condition similar with real exposure.
The bioconcentration test based on OECD Guideline No.305 was not suitable for evaluating BCF of the present test item.
Executive summary:

The study was expected to determine the bioconcentration factor of test item according to OECD 305.

A kinetics stability test in treated water was performed firstly. Based on results from stability in open solution, the test item has lost about half of initial concentration within 2 hours (residual percentage was 42.0%); while only about 5.0 % can be maintained after 24 hours. So this test item was considered as not stable in treated water in condition similar with real exposure.

The bioconcentration test based on OECD Guideline No.305 was not suitable for evaluating BCF of the present test item.

Description of key information

Akinetics stability testin treated water was performed firstly. Based on results from stability in open solution, the test item has lost about half of initial concentration within 2 hours (residual percentage was 42.0%); while only about 5.0 % can be maintained after 24 hours. So this test item was considered as not stable in treated water in condition similar with real exposure.

The bioconcentration test based on OECD Guideline No.305 was not suitable for evaluating BCF of the present test item.

The QSAR method EPI Suite 4.1 developed by US EPA based on the chemical structure was run to estimate the BCF. The SMILES codewas Si(C=C)(C=C)(C=C)(C=C), and the log BCF was 2.397 and 2.871, respectively.

Key value for chemical safety assessment

BCF (aquatic species):
742.9 dimensionless

Additional information