Registration Dossier
Registration Dossier
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EC number: 200-198-0 | CAS number: 54-21-7
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- 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:
- Data is from computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF (v3.01) model
- GLP compliance:
- no
- Radiolabelling:
- no
- Vehicle:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: estimation
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- Reference substance (positive control):
- no
- Key result
- 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 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 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 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 is non bioaccumulative in food chain.
Reference
Description of key information
Using BCFBAF Program (v3.00) model of EPI suite (2018) the estimated bio concentration factor (BCF) for test chemical 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 is non bioaccumulative in food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.162 L/kg ww
Additional information
Predicted data studies for test chemical and supporting experimental studies for its read across chemicals have been conducted and their results are summarized below for bioaccumulation endpoint.
The first predicted data study was done by using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite 2017) the estimated bio concentration factor (BCF) for test chemical 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 is non bioaccumulative in food chain.
Another predicted data study was done 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 test chemical was estimated to be 4.16 dimensionless . The predicted BCF result was based on the 5 OECD principles.
Next study was experimental study done from authoritative database in this study BCF value was estimated to be 3 dimensionless for test chemical by using a log Kow value of 1.19 and a regression-derived equation. This BCF suggests the potential for bioconcentration in aquatic organisms is low.
Similarly another study was done from authoritative database test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 2.26 and a regression derived equation. The BCF (bioaccumulation factor) value of test chemical was determined to be 3 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is non-bioaccumulative in aquatic organisms.
Similarly one more study was done from sauthoritative database for test chemical in this study the BCF value was estimated to be 3.0 dimensionless by using a log Kow of 0.73 and a regression-derived equation ,this BCF suggests the potential for bioconcentration in aquatic organisms is negligible.
By considering all the studies mentioned above it can be concluded that test chemical is non bioaccumulative in aquatic organisms.
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