Benzyl benzoate

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Study period:

13/11/2012

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Justification for type of information:

The bioconcentration factor of benzyl benzoate in fish was estimated from the log Kow using BCFBAF v3.01. An experimental log Kow was available for benzyl benzoate in the program.

Principles of method if other than guideline:

The bioconcentration factor of benzyl benzoate in fish was estimated from the log Kow using BCFBAF v3.01. An experimental log Kow was available for benzyl benzoate in the program.

GLP compliance:

no

Details on sampling:

Not applicable

Details on preparation of test solutions, spiked fish food or sediment:

Not applicable

Test organisms (species):

no data

Hardness:

Estimation by QSAR

Test temperature:

Estimation by QSAR

pH:

Estimation by QSAR

Dissolved oxygen:

Estimation by QSAR

TOC:

Estimation by QSAR

Salinity:

Estimation by QSAR

Details on test conditions:

Estimation by QSAR

Nominal and measured concentrations:

Estimation by QSAR

Details on estimation of bioconcentration:

The bioconcentration factor was estimated using BCFBAF v3.01. The equation used to make the BCF estimate was:

log BCF= 0.6598 log Kow - 0.333 + correction

In this case the experimental log Kow was 3.97 and no correction factor was applicable.

Type:

BCF

Value:

193.4 L/kg

Basis:

whole body w.w.

Remarks on result:

other: QSAR estimate

Details on kinetic parameters:

Not applicable

Metabolites:

Not applicable

Results with reference substance (positive control):

Not applicable

Details on results:

The estimated log BCF was 2.286 (BCF= 193.4 L/kg wet-wt)

No further information

Conclusions:

Based on a QSAR carried out using an experimental log Kow, the log BCF of benzyl benzoate in fish was estimated to be 2.286 (BCF= 193.4 Lkg wet-wt).

Executive summary:

The bioconcentration factor of benzyl benzoate was estimated by QSAR. the QSAR was carried out using BCFBAF v3.01 and an experimental log Kow value of 3.97. The following equation was used:

log BCF= 0.6598 log Kow - 0.333 + correction

No correction factor was used in this case. The log BCF was estimated to be 2.286 (BCF = 193.4 L/kg wet-wt).

Due to the readily biodegradable nature of benzyl benzoate, exposure to the aquatic environment is likely to be limited. The readily biodegradable nature of the substance will also mean that the BCF will be lower than that estimated from the log Kow of the substance, as it expected to be metabolised by aquatic microorganisms.

Description of key information

The BCF of benzyl benzoate was estimated to be 193.4 L/kg using BCFBAF v3.01 (log BCF= 2.286).

Key value for chemical safety assessment

BCF (aquatic species):

193.4 L/kg ww

Additional information

The bioconcentration factor of benzyl benzoate was estimated by QSAR. the QSAR was carried out using BCFBAF v3.01 and an experimental log Kow value of 3.97. The following equation was used:

log BCF= 0.6598 log Kow - 0.333 + correction

No correction factor was used in this case. The log BCF was estimated to be 2.286 (BCF = 193.4 L/kg wet-wt).

Due to the readily biodegradable nature of benzyl benzoate, exposure to the aquatic environment is likely to be limited. The readily biodegradable nature of the substance will also mean that the BCF will be lower than that estimated from the log Kow of the substance, as it expected to be metabolised by aquatic microorganisms.