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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
bioaccumulation in aquatic species, other
Remarks:
all trophic levels
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
September 2014
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model. Calculation for 2-butyl octanoic acid
Justification for type of information:
QSAR prediction
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Test type:
other: calculation
Details on estimation of bioconcentration:
BASIS INFORMATION
- Measured/calculated logPow: calculated log Pow (US EPA EPI Suite, program KOAWIN v1.10)

BASIS FOR CALCULATION OF BCF
- Estimation software: US EPA EPI Suite v4.00, program BCFBAF v3.01
- Result based on calculated log Pow of: 4.43 (estimated, KOWWIN v.1.68)
Key result
Type:
BCF
Value:
3.162 L/kg
Basis:
whole body w.w.
Remarks on result:
other: regression-based method
Key result
Type:
BCF
Value:
922.9
Basis:
whole body w.w.
Remarks on result:
other: Arnot Gobas (including biotransformation rate estimates, upper trophic)

Estimated Log BCF from regression-based method = 0.5 (BCF = 3.162 L/kg wet-wt)

Estimated Log BCF from Arnot-Gobas method (upper trophic) = 2.965 (BCF = 922.9)

Estimated Log BAF from Arnot-Gobas method (upper trophic) = 2.977 (BAF = 947.9)

Validity criteria fulfilled:
not applicable
Conclusions:
Estimated BCF from regression-based method and BCF from Arnot-Gobas method values of 3.162 (log BCF = 0.5) and 922.9 (log BCF 2.965 - upper trophic) respectively indicate a low bioaccumulation potential of the similar substance 2-butyl octanoic acid in aquatic organisms.
Executive summary:

The BCF of the read-across substance n-undecanoic acid (log Pow = 4.2) was estimated to be 3.162 L/kg ww (log BCF 0.5) regression-based method using the program BCFBAF v3.01 (Part of US EPA EPI Suite v4.00). In addition, a BCF (upper trophic) of 947.9 (log BCF = 2.977) was calculated using the method of Arnot-Gobas.

 

The low BCF/BAF values indicate a low potential of the similar substance 2 -butyl octanoic acid for bioaccumulation in aquatic organisms.

Description of key information

Estimated BCF from regression-based method of 3.162 (log BCF = 0.5) indicates a low bioaccumulation potential of the similar substance 2-butyl octanoic acid in aquatic organisms.

Key value for chemical safety assessment

BCF (aquatic species):
3.162 L/kg ww

Additional information

These calculated BCF values likely overestimate the potential for the aliphatic acids to bioaccumulate because of the rapid and extensive metabolism of aliphatic acids in animals and plants.