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Bioaccumulation: aquatic / sediment

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Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
12 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
6.91 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 12 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 12 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
18 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
11 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 18 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 18 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
16 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
9.4 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 16 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 16 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
16 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
9.4 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 16 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 16 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
10 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
4.7 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 10 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 10 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
37 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
29 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 37 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 37 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
6.9 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
2.8 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 6.9 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 6.9 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
7.2 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
3.2 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 7.2 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 7.2 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
2.6 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
1 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 2.6 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 2.6 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
2.4 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
0.9 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 2.4 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 2.4 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
6.8 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
3 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 6.8 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 6.8 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
16 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
10 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 16 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 16 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
17 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
10 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 17 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 17 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
31 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
22 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 31 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 31 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
Episuite and the BCFBAF models are well documented and commonly used QSARs for predicting the bioaccumulation potential of chemicals. Substances within LOA fall within the applicability domain of these models and they have been recommended by ECHA in the Information Requirement Guidelines.
Qualifier:
no guideline required
Principles of method if other than guideline:
Formerly called BCFWIN, the BCFBAF program estimates fish bioconcentration factor (BCF) and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The program is based on methodologies developed by Arnot-Gobas et al. (2003, 2006, 2008). A 5% lipid normalisation has been used for the Arnot-Gobas method BCF values, as recommended in OECD TG 305.
Key result
Type:
BCF
Value:
80 L/kg
Basis:
whole body w.w.
Calculation basis:
other: Regression based estimation
Remarks on result:
other: Result from QSAR
Key result
Type:
BCF
Value:
69 L/kg
Basis:
whole body w.w.
Calculation basis:
other: BCF Arno-Gobas method (upper trophic) (5% lipid normalisation)
Remarks on result:
other: Result from QSAR
Conclusions:
The estimated BCF for this substance is 80 L/kg (highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).
Executive summary:

The bioconcentration factor (BCF) value has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF for this substance is 80 L/kg ( highest value of the Arnot-Gobas (upper trophic with 5% lipid normalisation) and the regression-based estimates).

Description of key information

BCF have been calculated for all the costituents. The estimated BCF values range from 0.9 to 80 L/kg ww. Of the 15 constituents, no one has a BCF value of greater than 2000 L/kg ww. It is not feasible to perform simulation tests on complex, volatile UVCBs.

Key value for chemical safety assessment

Additional information

The bioconcentration factor (BCF) values of representative constituents of this category has been estimated using the EPISUITE v4.11 BCFBAF (2017) model, which uses methodology descrived by Arnot-Gobas et al. (2003, 2006, 2008). The estimated BCF values range from 0.9 to 80 L/kg ww. Of the 15 constituents, no one has a BCF value of greater than 2000 L/kg ww.

Constituent Name CAS No. BCF Upper Trophic Arnot Gobas (5% Lipid normalisation) (L/Kg ww)  BCF Regression model (L/Kg ww)
Benzene 000071-43-2 6.91 12
But-1-ene 000106-98-9 11 18
But-2-ene, cis- 000590-18-1 9.4 16
But-2-ene, trans- 000624-64-6 9.4 16
Buta-1,3-diene  000106-99-0 4.7 10
Butane 000106-97-8 29 37
Carbon Monoxide 000630-08-0 2.8 6.9
Ethane 000074-84-0 3.2 7.2
Ethene  [aka Ethylene] 000074-85-1 1.0 2.6
Methane 000074-82-8 0.9 2.4
Pentane 000109-66-0 69 80
Prop-1-ene 000115-07-1 3.0 6.8
Prop-1-ene, 2-methyl- 000115-11-7 10 16
Propane 000074-98-6 10 17
Propane, 2-methyl- 000075-28-5 22 31