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EC number: 907-706-6 | CAS number: -
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:
- BCFBAF Program (v3.00)
- GLP compliance:
- not specified
- Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: estimated
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg. C
- Key result
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 158.7 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Test chemical is 158.7 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical is not expected to bio accumulate in the aquatic environment.
- Executive summary:
From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Test chemical is 158.7 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical is not expected to bio accumulate in the aquatic environment.
- Endpoint:
- bioaccumulation in aquatic species: fish
- Data waiving:
- other justification
- Justification for data waiving:
- other:
- Justification for type of information:
- The study is ongoing and this information will be submitted later based on ECHA communication/decision number CCH-D-2114453640-54-01/F
Referenceopen allclose all
BCFBAF Program (v3.01) Results:
==============================
SMILES : O=C(C=CC1=C(CCCC1(C)C)C)C
CHEM : Ionone
MOL FOR: C13 H20 O1
MOL WT : 192.30
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 2.20 (BCF = 159 L/kg wet-wt)
Biotransformation Half-Life (days) : 1.38 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.51 (BAF = 323 L/kg wet-wt)
Log Kow (experimental): 3.84
Log Kow used by BCF estimates: 3.84
9
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 2.201 (BCF = 158.7 L/kg wet-wt)
Description of key information
The BCFBAF Program of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical. From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Test chemical is 158.7 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical is not expected to bio accumulate in the aquatic environment.
Key value for chemical safety assessment
- BCF (aquatic species):
- 158.7 L/kg ww
Additional information
Various predicted data for the target compound were reviewed for the bioaccumulation end point which are summarized as below:
The BCFBAF Program of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical. From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Test chemical is 158.7 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical is not expected to bio accumulate in the aquatic environment.
The above result is supported by the bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a log Kow of 3.85 and a regression derived equation. The BCF (bioaccumulation factor) value of test chemical was determined to be 161 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.
The overall result is further supported by the predicted data estimated for test chemical using BCFBAF Program (v3.00) model of EPI suite (2017). According to the predicted model, the estimated bio concentration factor (BCF) for test chemical is 161.1 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.
On the basis of above results for target chemical (from modelling databases,2017), it can be concluded that the test chemical is not expected to bioaccumulate in the food chain.
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