Registration Dossier
Registration Dossier
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EC number: 203-918-1 | CAS number: 111-88-6
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- Up to 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, limitations in design and reporting but otherwise adequate for assessment.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Results from BCFBAF v3.0
- Author:
- BCFBAF v 3.0
- Year:
- 2 009
- Bibliographic source:
- EPIWEB v4.0
Materials and methods
- Principles of method if other than guideline:
- The BCFBAF method classifies a compound as either ionic or non-ionic. Ionic compounds include carboxylic acids, sulfonic acids and salts of sulfonic acids, and charged nitrogen compounds (nitrogen with a +5 valence such as quaternary ammonium compounds). All other compounds are classified as non-ionic. The QSAR estimation equation used for log Kow 1.0-7.0 is: Log BCF = 0.6598 Log kow - 0.333 + Σ correction factors.
- GLP compliance:
- no
- Remarks:
- Not applicable
Test material
- Reference substance name:
- Octane-1-thiol
- EC Number:
- 203-918-1
- EC Name:
- Octane-1-thiol
- Cas Number:
- 111-88-6
- Molecular formula:
- C8H18S
- IUPAC Name:
- octane-1-thiol
- Details on test material:
- Test substance falls within the applicability domain of having a molecular weight between 68.08 and 959.17 and having a log Kow of between -1.37 and 11.26.
Constituent 1
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not applicable
Sampling and analysis
- Details on sampling:
- Not applicable
Test solutions
- Vehicle:
- not specified
- Details on preparation of test solutions, spiked fish food or sediment:
- Not applicable
Test organisms
- Test organisms (species):
- other: fish
- Details on test organisms:
- Not applicable
Study design
- Route of exposure:
- other: Not applicable
- Test type:
- other: Not applicable
- Water / sediment media type:
- not specified
- Remarks:
- freshwater
Test conditions
- Hardness:
- Not applicable
- Test temperature:
- Not applicable
- pH:
- Not applicable
- Dissolved oxygen:
- Not applicable
- TOC:
- Not applicable
- Salinity:
- Not applicable
- Details on test conditions:
- Not applicable
- Nominal and measured concentrations:
- Not applicable
- Reference substance (positive control):
- not specified
- Details on estimation of bioconcentration:
- Not applicable
Results and discussion
Bioaccumulation factor
- Type:
- BCF
- Value:
- 11.83
- Basis:
- other: L/kg wet weight
- Details on kinetic parameters:
- Not applicable
- Metabolites:
- Not applicable
- Results with reference substance (positive control):
- Not applicable
- Details on results:
- Estimated Log BCF = 1.073.
BCF = 11.83 L/kg wet-wt
Log Kow use = 4.21 - Reported statistics:
- Not applicable
Applicant's summary and conclusion
- Conclusions:
- The estimated BCF for the octane-1-thiol is 11.83 L/kg wet weight.
- Executive summary:
The use of QSAR is considered reliable and suitable for use for this endpoint.
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