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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

Endpoint:
bioaccumulation in aquatic species, other
Type of information:
other: calculation
Adequacy of study:
supporting study
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Accepted calculation method (US EPA EPI SuiteTM 4.11 module BCFBAF v. 3.01) used. However, there is currently no exactly defined model domain (apart from MW, log Kow-range and correction factors: inside domain) and no extensive validation was performed (no QMRF and no QPRF).

Data source

Reference
Reference Type:
other: calculation
Title:
Unnamed
Year:
2013
Report Date:
2013

Materials and methods

Principles of method if other than guideline:
BCF was calculated by US EPA EPI SuiteTM 4.11 module BCFBAF v. 3.01.
Two methods are available, a regression based method for calculation of log BCF from log Kow without considering biotransformation and a calculation based on the Arnot-Gobas mechanistic model (Arnot and Gobas, 2003). For the calculations according to the latter, estimated biotransformation rate constants are included.
As a worst case approach (no explicit consideration of biotransformation), only the first model is considered here. As model input, the experimentally determined log KOW of 2.9 (at 25°C; key study, company study number T10459; reliability category 2) was used (user entry).
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Test organisms

Test organisms (species):
other: QSAR estimation for bioconcentration in fish

Study design

Route of exposure:
aqueous

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
38.06 L/kg
Basis:
whole body w.w.
Calculation basis:
other: QSAR, regression based: BCFBAF v.3.01, BCF method
Remarks on result:
other: Conc.in environment / dose:QSAR-Estimation

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
BCF was calculated using US EPA EPI SuiteTM 4.11 module BCFBAF v. 3.01.
Two methods are available, a regression based method for calculation of log BCF from log Kow without explicitly considering biotransformation and a calculation based on the Arnot-Gobas mechanistic model (Arnot and Gobas, 2003). For the calculations according to the latter, estimated biotransformation rate constants are included.
As a worst case approach (no explicit consideration of biotransformation), only the first model is considered here. As model input, the experimentally determined log KOW of 2.9 (at 25°C; key study, company study number T10459; reliability category 2) was used (user entry).
A BCF of 38.06 L/kg wet weight was estimated. The compound is in the model domain as regards MW, log Kow-range and correction factors (no correction factor). The submission substance 2-ethylhexanol has therefore a low potential for bioconcentration/bioaccumulation.
Executive summary:

BCF was calculated using US EPA EPI SuiteTM 4.11 module BCFBAF v. 3.01.

Two methods are available, a regression based method for calculation of log BCF from log Kow without explicitly considering biotransformation and a calculation based on the Arnot-Gobas mechanistic model (Arnot and Gobas, 2003). For the calculations according to the latter, estimated biotransformation rate constants are included.

As a worst case approach (no explicit consideration of biotransformation), only the first model is considered here. As model input, the experimentally determined log KOW of 2.9 (at 25°C; key study, reliability category 2) was used (user entry).

A BCF of 38.06 L/kg wet weight was estimated. The compound is in the model domain as regards MW, log Kow-range and correction factors (no correction factor). The submission substance 2-ethylhexanol has therefore a low potential for bioconcentration/bioaccumulation.