Mesitylene

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

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.