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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Estimated data generated using the EPI Suite program developed by the USEPA.
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
Prediction done using BCFBAF (v3.01) model
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: sodium naphthalene-1-sulfonate
- Molecular formula: C10H7NaO3S
- Molecular weight: 230.218 g/mol
- Smiles notation: c12c(S(=O)(=O)[O-])cccc1cccc2.[Na+]
- InChl: 1S/C10H8O3S.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid
Radiolabelling:
not specified
Vehicle:
not specified
Test organisms (species):
other: Fish
Route of exposure:
aqueous
Test type:
not specified
Water / sediment media type:
natural water: freshwater
Test temperature:
25 deg.C
Reference substance (positive control):
not specified
Temp.:
25 °C
Type:
BCF
Value:
3.162 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non-bioaccumulative
Validity criteria fulfilled:
not specified
Conclusions:
Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for test chemical sodium naphthalene-1-sulfonate (CAS no. 130-14-3) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical sodium naphthalene-1-sulfonate is non-bioaccumulative in food chain.
Executive summary:

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for test chemical sodium naphthalene-1-sulfonate (CAS no. 130-14-3)  is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical sodium naphthalene-1-sulfonate is non-bioaccumulative in food chain.

Description of key information

Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for test chemical sodium naphthalene-1-sulfonate (CAS no. 130-14-3)  is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical sodium naphthalene-1-sulfonate is non-bioaccumulative in food chain.

Key value for chemical safety assessment

BCF (aquatic species):
3.162 L/kg ww

Additional information

Various predicted data for the target compound sodium naphthalene-1 -sulfonate (CAS No. 130 -14 -3) and supporting weight of evidence study for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In first study BCF value of test chemical was estimated by using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for test chemical sodium naphthalene-1-sulfonate (CAS no. 130-14-3) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical sodium naphthalene-1-sulfonate is non-bioaccumulative in food chain.

 

Next study was reviewed from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the bioaccumulation i.e BCF for test substance sodium naphthalene-1-sulfonate (CAS no. 130 -14 -3) was estimated to be 5.83 dimensionless. The predicted BCF result was based on the 5 OECD principles. Thus based on the result it is concluded that the test substance sodium naphthalene-1-sulfonate is non-bioaccumulative in nature.

 

Another study was reviewed from authoritative database (J check, 2018) in this study the Bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of test substance under static conditions. The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances". Test chemical nominal conc. used for the study were 10 mg/l and 1 mg/l (w/v). Range finding study involve the TLm (48 hr) ≥ 4000 mg/l on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be < 0.6 L/Kg at a conc. of 10 mg/l and < 6 L/Kg at a conc. of 1 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.

 

Further, to support above mentioned studies another study was reviewed from authoritative database (HSDB, 2017) in this study the bioaccumulation experiment was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of -0.14 and a regression derived equation. The BCF (bioaccumulation factor) value of test chemical was determined to be 0.5 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.

 

Last study was reviewed from authoritative database (J check, 2018) in this study Bioaccumulation experiment was conducted on test organism Cyprinus carpio for 8 weeks for evaluating the bioconcentration factor (BCF value) of test substance under static conditions. Test chemical nominal conc. used for the study were 5 mg/l and 0.5 mg/l (w/v). Range finding study involve the TLm (48 hr) 610 mg/l on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be< 0.6 L/Kg at a conc. of 5 mg/l and < 6 L/Kg at a conc. of 0.5 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.

 

On the basis of above results for target chemical sodium naphthalene-1-sulfonate (from, EPI suite, CompTox Chemistry Dashboard, 2017) and for its read across substance (from authoritative database HSDB and J-CHECK, 2017), it can be concluded that the BCF value of test substance sodium naphthalene-1-sulfonate was in range from 3.162 to 5.83 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical sodium naphthalene-1 -sulfonate is not expected to bioaccumulate in the food chain