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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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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:
2009
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

Constituent 1
Chemical structure
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.
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.