2-ethylhexan-1-ol

Bioaccumulation: aquatic / sediment

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

Test material information

Constituent 1

Reference substance name:

2-ethylhexan-1-ol

EC Number:

203-234-3

EC Name:

2-ethylhexan-1-ol

Cas Number:

104-76-7

Molecular formula:

C8H18O

IUPAC Name:

2-ethylhexan-1-ol

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.