Registration Dossier

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

Currently viewing:

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

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
Not applicable
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

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:
natural water: 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
Details on estimation of bioconcentration:
Not applicable

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
11.97
Basis:
other: L/kg wet weight
Remarks on result:
other: Conc.in environment / dose:1.888 g/L (limit of solubility at 25°C)
Details on kinetic parameters:
Not applicable
Metabolites:
Not applicable
Results with reference substance (positive control):
Not applicable
Details on results:
BCF = 11.97
Log BCF = 1.078
Log Kow used = 2.14
Reported statistics:
Not applicable

Applicant's summary and conclusion

Conclusions:
The estimated BCF for 2-methyl-2-propanethiol is 11.97.
Executive summary:

The use of QSAR is considered reliable and suitable for use for this endpoint.