Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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

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.