Registration Dossier
Registration Dossier
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EC number: 481-740-5 | CAS number: 848301-67-7
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The result was obtained by an appropriate predictive method.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Referenceopen allclose all
- Reference Type:
- other: QSAR Method Reporting Format
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
- Reference Type:
- other: QSAR Prediction Reporting Format
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
- Principles of method if other than guideline:
- The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
- GLP compliance:
- no
Test material
- Reference substance name:
- -
- EC Number:
- 481-740-5
- EC Name:
- -
- Cas Number:
- 848301-67-7
- Molecular formula:
- main general molecular formula: CnH(2n+2)
- IUPAC Name:
- 2,2,3,4,4,5,6-heptamethylheptane; 2,2,8-trimethyltetradecane; 2,2-dimethyldodecane; 2,2-dimethyltetradecane; 2-methyltetradecane; 3,5,7-triethyldecane; 4-ethyldodecane; 4-propyldodecane; 5,5-dipropylnonane; 5,7-dimethyl-4-propylundecane; 5-butyl-5-propyldecane; 5-butyl-5-propylnonane; 5-ethyl-5-propylnonane; 5-ethyl-7-methyl-4-propylundecane; 5-propyltridecane; 6-butyl-6-methyldodecane; 6-butyldodecane; 6-butylundecane; 7-methyl-4-propylundecane; 8-methyl-5-propyltridecane; 9-butyl-6-propylhexadecane; heptadecane; hexacosane; hexadecane; octane; pentadecane; tetradecane
Constituent 1
Results and discussion
Bioaccumulation factor
- Type:
- BCF
- Value:
- 1 600 - 2 000 L/kg
Applicant's summary and conclusion
- Conclusions:
- A BCF value range of 1600-2000 L/kg (log BCF 3.2 – 3.3 L/kg) was obtained using an appropriate calculation method.
- Executive summary:
A logistic function QSAR model has been used to predict BCF values for the constituents. Using the QSAR model, predicts a worst case scenario for high log Kowconstituents as it assumes a plateau at log BCF 3.3 (BCF 2000) for constituents withlog Kow>4.3 (equivalent to carbon chain length ~9).
The logistic function QSAR model indicates that the majority of the GTL Gasoil constituents may reach the criteria for B. When the error in the QSAR is taken into account (average error in log BCF = 0.2), the logistic function QSAR model indicated that all constituents may reach the criteria for B. There are no vB constituents.
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