Registration Dossier
Registration Dossier
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EC number: 223-772-2 | CAS number: 4065-45-6
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Remarks:
- aquatic organisms
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from HSDB and PubChem authoritative database
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Environmental bioconcentration factor of the test chemical was estimated using a logKow and a regression-derived equation.
- GLP compliance:
- not specified
- Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: aquatic organisms
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- natural water: freshwater
- Reference substance (positive control):
- not specified
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Result based on calculated logKow of: 0.37 - Key result
- Type:
- BCF
- Value:
- 3 dimensionless
- Basis:
- whole body w.w.
- Calculation basis:
- other: BCF value of test chemical was estimated using a logKow and a regression-derived equation.
- Remarks on result:
- other: Other details not known
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated BCF (bioaccumulation factor) of test chemical was determined to be 3.0 dimensionless.
- Executive summary:
The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a logKow of 0.37 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 3.0 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.
Reference
According to a classification scheme, the BCF value of test chemical suggests the potential for bioconcentration in aquatic organisms is low.
Description of key information
The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (authoritative database, 2017). The bioaccumulation factor (BCF) value was calculated using a logKow of 0.37 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 3.0 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3 dimensionless
Additional information
Various studies and predicted data of the test chemical were reviewed for the bioaccumulation end point which are summarized as below:
In an experimental key study from authoritative databases (2017), the bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a logKow of 0.37 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 3.0 dimensionless.
In a prediction done using the BCFBAF program of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).
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 chemical was estimated to be 4.29 dimensionless . The predicted BCF result based on the 5 OECD principles.
On the basis of above results for target chemical, it can be concluded that the BCF value of test chemicalwas determined to be ranges from 3.0– 4.29, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
Bioaccumulation endpoint can also be considered for waiver as per in accordance with column 2 of Annex IX of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the test chemical has a low potential for bioaccumulation based on logKow ≤ 3.
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