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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Administrative data

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: TGD guideline, QSAR calculation, acceptable with restrictions
Justification for type of information:
QSAR prediction based on calculation. This model uses a linear relationship between log Kow and BCF to predict the BCF of a test substance. This linear relationship applies to substances with a log Kow <6 and so is applicable for substances in this category.

Data source

Reference
Reference Type:
publication
Title:
Measuring and estimating the bioconcentration factor of chemicals in fish
Author:
Veith, G.D., Defoe, D.L. and Bergstedt, B.V.
Year:
1979
Bibliographic source:
J. Fish. Board Can. 36, 1040-1048.
Report date:
1979

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
This model uses a linear relationship between log Kow and BCF to predict the BCF of a test substance. This linear relationship applies to substances with a log Kow <6. The linear model has been validated using a dataset other than the training dataset. The constituents assessed are listed in Section 2.3 and the Category Justification Document.
GLP compliance:
not specified

Test material

Constituent 1
Reference substance name:
1-butene
Cas Number:
106-98-9
Molecular formula:
C4H8
IUPAC Name:
1-butene
Constituent 2
Chemical structure
Reference substance name:
But-1-ene
EC Number:
203-449-2
EC Name:
But-1-ene
Cas Number:
106-98-9
Molecular formula:
C4H8
IUPAC Name:
but-1-ene
Radiolabelling:
no

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):
not specified
Details on test organisms:
not applicable

Study design

Route of exposure:
aqueous
Test type:
not specified

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
Key result
Type:
BCF
Value:
ca. 17.8 L/kg
Basis:
not specified
Calculation basis:
other: based on log Kow
Details on kinetic parameters:
not applicable
Metabolites:
not applicable
Results with reference substance (positive control):
not applicable
Details on results:
not applicable
Reported statistics:
not applicable

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
The calculated log BCF for but-1-ene is the 1.251 (equivalent to 17.8 L/kg w/w).
Executive summary:

An experimental BCF is not available for but-1-ene. In the absence of measured data the use of a QSAR to predict the BCF is an appropriate technique to use. The use of the linear bioconcentration factor for aquatic organisms QSAR recommended in the Technical Guidance Document (2003) is appropriate for these substances as their log Kow falls within the applicability domain of the model. The calculated log BCF for but-1-ene is the 1.251 (equivalent to 17.8 L/kg w/w).