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Short-term toxicity to fish

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Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
0.46 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [0.42 - 0.51 mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [0.42 - 0.51 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of limonene to fish was predicted as equal to 0.46 mg/L (with a 95% CI of 0.42 - 0.51 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of limonene has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of limonene to fish was predicted as equal to 0.46 mg/L (with a 95% CI of 0.42 - 0.51 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 0.46 mg test material/L 95%-C.I.: 0.42 - 0.51 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
0.61 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [0.55 - 0.67 mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [0.55 - 0.67 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of sabinene to fish was predicted as equal to 0.61 mg/L (with a 95% CI of 0.55 - 0.67 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of sabinene has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of sabinene to fish was predicted as equal to 0.61 mg/L (with a 95% CI of 0.55 - 0.67 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 0.61 mg test material/L 95%-C.I.: 0.55 - 0.67 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
48 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [43 - 53 mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [43 - 53 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of elemicine to fish was predicted as equal to 48 mg/L (with a 95% CI of 43 - 53 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of elemicine has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of elemicine to fish was predicted as equal to 48 mg/L (with a 95% CI of 43 - 53 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 48 mg test material/L 95%-C.I.: 43 - 53 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
0.86 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [0.78 - 0.95 mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [0.78 - 0.95 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of beta-phellandrene to fish was predicted as equal to 0.86 mg/L (with a 95% CI of 0.78 - 0.95 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of beta-phellandrene has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of beta-phellandrene to fish was predicted as equal to 0.86 mg/L (with a 95% CI of 0.78 - 0.95 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 0.86 mg test material/L 95%-C.I.: 0.78 - 0.95 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
0.55 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [0.50 - 0.61mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [0.50 - 0.61 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of terpinolene to fish was predicted as equal to 0.55 mg/L (with a 95% CI of 0.50 - 0.61 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of terpinolene has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of terpinolene to fish was predicted as equal to 0.55 mg/L (with a 95% CI of 0.50 - 0.61 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 0.55 mg test material/L 95%-C.I.: 0.50 - 0.61 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
0.28 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [0.25 - 0.31 mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [0.25 - 0.31 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of alpha-pinene to fish was predicted as equal to 0.28 mg/L (with a 95% CI of 0.25 - 0.31 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of alpha-pinene has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of alpha-pinene to fish was predicted as equal to 0.28 mg/L (with a 95% CI of 0.25 - 0.31 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 0.28 mg test material/L 95%-C.I.: 0.25 - 0.31 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
1.3 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [1.2 - 1.4 mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [1.2 - 1.4 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of elemol to fish was predicted as equal to 1.3 mg/L (with a 95% CI of 1.2 - 1.4 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of elemol has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of elemol to fish was predicted as equal to 1.3 mg/L (with a 95% CI of 1.2 - 1.4 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 1.3 mg test material/L 95%-C.I.: 1.2 - 1.4 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
14 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [13 - 16 mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [13 - 16 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of methyl eugenol to fish was predicted as equal to 14 mg/L (with a 95% CI of 13 - 16 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of methyl eugenol has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of methyl eugenol to fish was predicted as equal to 14 mg/L (with a 95% CI of 13 - 16 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 14 mg test material/L 95%-C.I.: 13 - 16 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
69 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [62 - 76 mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [62 - 76 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of alpha-terpineol to fish was predicted as equal to 69 mg/L (with a 95% CI of 62 - 76 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of alpha-terpineol has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of alpha-terpineol to fish was predicted as equal to 69 mg/L (with a 95% CI of 62 - 76 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 69 mg test material/L 95%-C.I.: 62 - 76 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
0.41 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [0.37 - 0.45 mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [0.37 - 0.45 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of alpha-phellandrene to fish was predicted as equal to 0.41 mg/L (with a 95% CI of 0.37 - 0.45 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of alpha-phellandrene has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of alpha-phellandrene to fish was predicted as equal to 0.41 mg/L (with a 95% CI of 0.37 - 0.45 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 0.41 mg test material/L 95%-C.I.: 0.37 - 0.45 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017-01-31
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
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
QSAR model
Principles of method if other than guideline:
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
no
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: QSAR model
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
96h-LC50
Post exposure observation period:
not applicable
Hardness:
The QSAR is based on data from studies performed at acceptable hardness to ensure control survival
Test temperature:
The QSAR is based on data from studies performed at between 14 - 25 °C (depending on the species considered)
pH:
The QSAR is based on data from studies performed at acceptable pH between 6.0 - 9.0
Dissolved oxygen:
The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%)
Salinity:
The QSAR is based on data from studies performed on freshwater species
Nominal and measured concentrations:
The QSAR is based on data from studies performed using measured concentrations or with acceptable stability
Details on test conditions:
not applicable
Reference substance (positive control):
no
Remarks:
QSAR model
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
0.98 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: 95% CI [0.89 - 1.1 mg/L]
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
95% CI [0.89 - 1.1 mg/L]
QSAR statistical parameters are given in the QMRF and QPRF
Sublethal observations / clinical signs:

no data

Validity criteria fulfilled:
yes
Remarks:
The substance falls into applicability domains of the model QSAR.
Conclusions:
The 96h-LC50 of p-cymene to fish was predicted as equal to 0.98 mg/L (with a 95% CI of 0.89 - 1.1 mg/L).
Executive summary:

The acute toxicity to fish was determined using a validated QSAR for the Mode of Action in question, based on validated data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The QSAR is a simple linear regression of sub-cooled liquid solubility versus 96-h LC50 for fish and is valid within the applicability domain defined in the QMRF.

The acute toxicity to fish of p-cymene has been investigated using a QSAR model that predicts fish mortality in an OECD 203 study.

The 96h-LC50 of p-cymene to fish was predicted as equal to 0.98 mg/L (with a 95% CI of 0.89 - 1.1 mg/L). The substance falls within the applicability domain of the model as demonstrated in the QPRF and was therefore reliably predicted for toxicity (96h-LC50) to fish. Therefore, this toxicity study is considered acceptable and accurate enough to replace an experimental study. It can be used for that endpoint.

Results Synopsis

Test Type: QSAR model

96h-LC50: 0.98 mg test material/L 95%-C.I.: 0.89 - 1.1 mg test material/L

Endpoint:
short-term toxicity to fish
Type of information:
calculation (if not (Q)SAR)
Remarks:
Estimated by calculation
Adequacy of study:
key study
Study period:
2017-02-10 to 2017-02-10
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 203 (Fish, Acute Toxicity Test)
Deviations:
yes
Remarks:
Calculation method
Principles of method if other than guideline:
The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analyzable fraction of a WAF study.
Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents. In the calculation the second step is to remove this non-bioavailable fraction.
The final step is to determine the truly bioavailable fraction of the WAF per constituent. The LC50s of each constituent are already known from literature or calculated using the iSafeRat QSAR model. Each value and calculation has been included as a supporting study in the IUCLID. An additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Lethal Loading of the WAF.
The method has been validated using data derived from 96-hour LC50 tests on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. Further to this the lethal loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the non-bioavailable fraction.
GLP compliance:
no
Specific details on test material used for the study:
Not applicable
Analytical monitoring:
not required
Details on sampling:
not applicable
Vehicle:
no
Details on test solutions:
not applicable
Test organisms (species):
other: fish spp.
Details on test organisms:
not applicable
Test type:
other: calculation method
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Remarks on exposure duration:
LL50 (lethal loading rate of WAF)
Post exposure observation period:
not applicable
Hardness:
Hardness is not a necessary component of the WAF calculation
Test temperature:
The Temperature is not a necessary component of the WAF calculation
pH:
The pH is not a necessary component of the WAF calculation
Dissolved oxygen:
The oxygen concentration is not a necessary component of the WAF calculation
Salinity:
Salinity is not a necessary component of the WAF calculation.
Nominal and measured concentrations:
The calculation determines measured concentrations
Details on test conditions:
calculation method
Reference substance (positive control):
not required
Duration:
96 h
Dose descriptor:
LL50
Effect conc.:
3.5 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality (fish)
Remarks on result:
other: based on the typical composition
Details on results:
not applicable
Results with reference substance (positive control):
not applicable
Reported statistics and error estimates:
not applicable
Sublethal observations / clinical signs:

At this loading rate, the expected concentrations of each constituent in the mixture (based on thermodynamic calculation) are as follows:

constituents

concentration in the WAF (mg.L-1)

limonene

1.8

elemol

0.40

α-phellandrene

0.46

elemicine

0.13

sabinene

0.13

α-terpineol

0.043

p-cymene

0.073

terpinolene

0.041

methyl eugenol

0.017

α-pinene

0.012

β-phellandrene

0.092

Validity criteria fulfilled:
yes
Conclusions:
96h-LL50 for typical composition of Elemi oil = 3.5 mg/L
Executive summary:

Elemi Oil is a Natural Complex Substance (UVCB) with a well-defined composition. Its acute toxicity to fish has been investigated using an in-house calculation method that replaces an OECD 203 study and guideline for Testing of Chemicals No. 23 (i.e. WAF conditions). The "typical"composition provided by the supplier of the substance has been investigated.

 

The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analysable fraction of a WAF study. In the calculation the second step is to remove this non-bioavailable fraction. Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents.

These two reasons explain why ecotoxicity values from WAF studies are always higher for non-polar narcotic mixtures than the calculated values from CLP additivity calculation.The final step is to determine the truly bioavailable fraction of the WAF per constituent. The LC50s of each constituent were predicted using the iSafeRat QSAR model. Each value has been included as a supporting study in the IUCLID (with QPRF and the QMRF attached to the dossier). An additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Lethal Loading rate of the WAF.

The 96-h LL50 of Elemi oil was 3.5 mg test material/L based on the typical composition.

Based on the results of this study, Elemi oil would not be classified as acute 1 to aquatic organisms in accordance with the classification of the CLP.

This toxicity study is acceptable and can be used for that endpoint.

Results Synopsis

Test Type: Calculation method

96h-LL50: 3.5 mg test material/L based on the typical composition

Description of key information

The 96-h LL50 of Elemi oil was 3.5 mg test material/L for the typical composition.

Key value for chemical safety assessment

Fresh water fish

Fresh water fish
Effect concentration:
3.5 mg/L

Additional information

For that endpoint, one reliable study was available: an in-house calculation method that replaces an OECD 203 study and guideline for Testing of Chemicals No. 23 (i.e. WAF conditions). The typical composition has been investigated in this study.

 

The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analysable fraction of a WAF study. In the calculation the second step is to remove this non-bioavailable fraction. Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents.

These two reasons explain why ecotoxicity values from WAF studies are always higher for non-polar narcotic mixtures than the calculated values from CLP additivity calculation.The final step is to determine the truly bioavailable fraction of the WAF per constituent. The LC50s of each constituent were predicted using the iSafeRat QSAR model. Each value has been included as a supporting study in the IUCLID, together with QPRF and the QMRF. An additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Effective Loading rate of the WAF.

Based on the results of this study, the registered substance would not be classified as acute 1 to aquatic organisms in accordance with the classification of the CLP.

This toxicity study is considered reliable and can be used for that endpoint.