Ethyl decanoate

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

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 adequate and reliable documentation / justification

Justification for type of information:

QSAR prediction (see : Any other information on materials and methods incl. tables)

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 organisms (species):

other: Fish

Route of exposure:

aqueous

Test type:

other: calculation

Water / sediment media type:

natural water: freshwater

Details on estimation of bioconcentration:

BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01
- Result based on calculated log Pow of: 4.79 (estimated, KOWWIN v.1.68)

Type:

BAF

Value:

105.7 L/kg

Basis:

whole body w.w.

Remarks on result:

other: Arnot Gobas (including biotransformation rate estimates, upper trophic)

Key result

Type:

BCF

Value:

105.7 L/kg

Basis:

whole body w.w.

Remarks on result:

other: Arnot Gobas (including biotransformation rate estimates, upper trophic)

Details on results:

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Estimated Log BCF (mid trophic) = 2.154 (BCF = 142.4 L/kg wet-wt)

Estimated Log BAF (mid trophic) = 2.158 (BAF = 143.9 L/kg wet-wt)

Estimated Log BCF (lower trophic) = 2.192 (BCF = 155.6 L/kg wet-wt)

Estimated Log BAF (lower trophic) = 2.230 (BAF = 169.7 L/kg wet-wt)

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):

Estimated Log BCF (upper trophic) = 3.736 (BCF = 5443 L/kg wet-wt)

Estimated Log BAF (upper trophic) = 4.685 (BAF = 4.838e+004 L/kg wet-wt)

Biotransformation Rate Constant:

kM (Rate Constant): 2.735 /day (10 gram fish)

kM (Rate Constant): 1.538 /day (100 gram fish)

kM (Rate Constant): 0.865 /day (1 kg fish)

kM (Rate Constant): 0.4864 /day (10 kg fish)

Bio Half-Life Normalized to 10 g fish at 15 deg C: 0.2534 days

 

Reference 2

Endpoint:

bioaccumulation in aquatic species: fish

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

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 adequate and reliable documentation / justification

Justification for type of information:

QSAR prediction (see : Any other information on materials and methods incl. tables)

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 organisms (species):

other: Fish

Route of exposure:

aqueous

Test type:

other: calculation

Water / sediment media type:

natural water: freshwater

Details on estimation of bioconcentration:

BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01
- Result based on calculated log Kow of: 4.79 (estimated, KOWWIN v.1.68)

Type:

BCF

Value:

28.52 L/kg

Basis:

whole body w.w.

Remarks on result:

other: Regression based estimate

Details on results:

For detailed describtion on the model and its applicability, see "Any other information on materials and methods incl. tables".

Description of key information

The BCF of Ethyl decanoate estimated with the BCFWin program is equal to 28.52 L/kg whole body w.w. (method based on log Kow). The Arnot-Gobas model gives a BCF and a BAF of 105.7 L /kg whole body w.w.

The highest BCF value of 105.7 L/kg whole body w.w. is considered as representative of the registered substance, Ethyl decanoate, which is not bioaaccumulable.

Key value for chemical safety assessment

BCF (aquatic species):

105.7 L/kg ww

Additional information

No experimental study investigating the bioaccumulation of “Ethyl decanoate” is available. Using the BCFWinprogram, the BCF value of 28.52 L/kg was calculated for Ethyl decanoate using the regression method based on log Kow. Since this QSAR is validated and the substance fits in the applicability domain of the model, then the prediction is considered as reliable and Ethyl decanoate is not bioaccumulable.

Using the Arnot-Gobas program, which integrates the metabolic transformation in fish and the exposure through the water and the diet, BCF and BAF values are equal to 105.7 L/kg. This QSAR is also validated and the substance fits in its applicability domain. So the prediction is considered as reliable and confirms the lack of bioaccumulation potential of the substance Ethyl decanoate.

It can be assumed that the BCF of Ethyl decanoate is low and can be represented by the value ≤ 105.7 L/kg w.w.