Registration Dossier
Registration Dossier
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EC number: 954-376-4 | CAS number: -
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2021
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated QSAR model. Calculation for main componenet of FA C16-C18 saturared and unsaturated., isopentyl esters
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01.Estimation Programs Interface Suite for Microsoft Windows v4.10 US EPA, United states environmental protection Agency, Washington , DC, USA
- GLP compliance:
- no
- Specific details on test material used for the study:
- -Name of the test material (as cited in the study report) C18:2 component of Fatty acids C16-C18 saturated and unsaturated, isopentyl esters.
Molecular formula ( if other than submission, substance): C23H42O2
Smiles notation ( if other than submission substance):O=C(OCCC(C)C)CCCCCCCC=CCC=CCCCCC
-Analytical purity: not applicable - Radiolabelling:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- Basis for Calculation of BCF.
-Estimation software : BCFBAF v3.01
-Results based on calculated log KOW: 9.69 - Key result
- Type:
- BCF
- Value:
- 161 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Regression based estimate
- Conclusions:
- BCF was estimated for FA C16-C18 saturated and unsaturated , isopentyl esters, using BCFBAF V3.1 software. For the C18:2 component a BCF value of 161 L/kg wet-wt was found.
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2021
- Reliability:
- other: validated QSAR model.Calculation for component of main component of FA C16-18saturated and unsaturated., isopentyl esters
- Reason / purpose for cross-reference:
- (Q)SAR model reporting (QMRF)
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation based on BCFBAFv3.01, Estimation Programs Interface Suite for Microsoft windows V4.10 US EPA, United Environmental Protection Agency. Washington,DC, USA
- GLP compliance:
- no
- Specific details on test material used for the study:
- -Name of the test material (as cited inthe study report) C16: component of Fatty acids C16-C18 saturated and unsaturated, isopentyl esters.
Molecular formula ( if other than submission, substance): C21H42O2
Smiles notation ( if other than submission substance):O=C(OCCC(C)C)CCCCCCCCCCCCCCC
-Analytical purity: not applicable - Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- Basis for calculation og BCF
-Estimation software; BCFBAF v3.01
-Result based on calculated log Kow:9.14 - Key result
- Type:
- BCF
- Value:
- 301 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Regression based estimate
- Conclusions:
- BCF was estimated for FA C16-C18 saturated and unsaturated , isopentyl esters, using BCFBAF V3.1 software. For the C16 component a BCF value of 301 L/kg wet-wt was found.
Referenceopen allclose all
Description of key information
BCF was estimated (EPI suite, BCFBAF) for two main constituents of FA C16-18 saturated and unsaturated ., isopentyl esters
C16: isopentyl palmitate, BCF= 301 l/kg wet-wt
C18:2 isopentyl linoleate, BCF=161 L/kg wet-wt
Key value for chemical safety assessment
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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