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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
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 calculations, acceptable with restrictions
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
According to Veith (1979) as recommended by Section 4.5.2.1 of the TGD 2003 for chemicals with a log Kow of <6. The linear model generated by Veith et al. (1979) is based on BCF data for fathead minnows (Pimephales promelas). Log Kow is used as descriptor variable. The linear equation is log BCF = 0.85 logKow - 0.70
GLP compliance:
not specified
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
Not applicable
Radiolabelling:
not specified
Details on sampling:
Not applicable
Vehicle:
no
Details on preparation of test solutions, spiked fish food or sediment:
Not applicable
Test organisms (species):
Pimephales promelas
Details on test organisms:
Not applicable
Route of exposure:
other: calculated
Test type:
other: Not applicable
Water / sediment media type:
not specified
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
Key result
Type:
BCF
Value:
161
Basis:
other: not applicable
Calculation basis:
other: QSAR
Remarks on result:
other: based on a measured log Kow of 3.42
Remarks:
Conc.in environment / dose:Not applicable
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
Validity criteria fulfilled:
not applicable
Remarks:
This is a calculated value
Conclusions:
The estimated BCF of 1,3,5-trimethyl benzene is 161. This value would not indicate that 1,3,5-trimethylbenzene is bioaccumulative in the PBT assessment endpoint.
Executive summary:

In the absence of measured data a QSAR can be used to predict the BCF, as long as it is appropriate to the substance. This QSAR is appropriate for substances with a log Kow of <6 (the measured log Kow for the substance is 3.63). The estimated BCF of 1,3, 5-trimethylbenzene is 161, this value compares to measured values of 23 -382 reported by CITI (1981). The value would not indicate that 1,3,5-trimethylbenzene is bioaccumulative in the PBT assessment endpoint.

Description of key information

The measured BCF results range from 20 to 342 and are supported by calculated and QSAR results which report BCF values of 161 and 83.9 respectively.

Key value for chemical safety assessment

BCF (aquatic species):
342 dimensionless

Additional information

Data are reported by MITI (Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center (1992)) using a bioconcentration test method, however the report is not available for review. The reported BCF range from 20 to 342, which indicates that 1 ,3, 5-trimethylbenzene will not meet the definitive criteria (Part C - PBT assessment) for B (BCF >2000 L/kg) or vB (BCF>5000 L/kg). This is supported by calculated (Veith et al. 1979) and QSAR (BCFBAF v3.0) results which report BCF values of 161 and 83.9 respectively.