Registration Dossier

Diss Factsheets

Ecotoxicological information

Toxicity to aquatic algae and cyanobacteria

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2008
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non GLP, TGD guideline, QSAR calculation, acceptable with restriction
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
The Ecosar class program has been developed primarily for the evaluation of neutral organic compounds and organic classes with excess toxicity. The QSARs in the Ecosar program are developed for chemical classes based on measured test data that have been submitted by industry or they are developed by other sources for chemicals with similar structures, e.g. phenols. Using the measured aquatic toxicity values and estimated Kow values, regression equations can be developed for a class of chemicals. Toxicity values for new chemicals may then be calculated by inserting the Kow into the regression equation and correcting the resultant value for the molecular weight of the compound.
GLP compliance:
no
Specific details on test material used for the study:
SMILES used as input for the calculation:

Butane: CCCC
Analytical monitoring:
not specified
Details on sampling:
No data reported
Vehicle:
not specified
Details on test solutions:
No data reported
Test organisms (species):
other: Green algea (no further information)
Details on test organisms:
No data reported
Test type:
not specified
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Post exposure observation period:
No data reported
Hardness:
No data reported
Test temperature:
No data reported
pH:
No data reported
Dissolved oxygen:
No data reported
Salinity:
No data reported
Nominal and measured concentrations:
No data reported
Details on test conditions:
No data reported
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
7.71 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
not specified
Details on results:
No data reported
Results with reference substance (positive control):
No data reported
Reported statistics and error estimates:
No data reported

The substance is within the range of logkow and molecular weight allowed by ECOSAR. The training set of the model for this endpoint and chemical class is sufficiently large and contains chemicals that are closely related to the target substance (hydrocarbons). The chemical class to which the target substance was assigned (neutral organics) is correct, as it is a hydrocarbon acting via non-polar narcosis. Therefore the prediction is considered within domain.

Validity criteria fulfilled:
not applicable
Conclusions:
The 96 hour EC50 for green algae is estimated to be 7.71 mg/L in fresh water.
Executive summary:

No experimental data are available for the effect of butane on the toxicity of algae so QSAR calculations were used to estimate result. ECOSAR Program v1.00. in EPI Suite v4.00 has been used which is acceptable with restrictions. The 96 hour EC50 for green algae is estimated to be 7.71 mg/L in fresh water.

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2008
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non GLP, TGD guideline, QSAR calculation, acceptable with restriction
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
The Ecosar class program has been developed primarily for the evaluation of neutral organic compounds and organic classes with excess toxicity. The QSARs in the Ecosar program are developed for chemical classes based on measured test data that have been submitted by industry or they are developed by other sources for chemicals with similar structures, e.g. phenols. Using the measured aquatic toxicity values and estimated Kow values, regression equations can be developed for a class of chemicals. Toxicity values for new chemicals may then be calculated by inserting the Kow into the regression equation and correcting the resultant value for the molecular weight of the compound.
GLP compliance:
no
Specific details on test material used for the study:
SMILES used as input for the calculation:

Ethane: CC
Analytical monitoring:
not specified
Details on sampling:
No data reported
Vehicle:
not specified
Details on test solutions:
No data reported
Test organisms (species):
other: Green algea (no further information)
Details on test organisms:
No data reported
Test type:
not specified
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Post exposure observation period:
No data reported
Hardness:
No data reported
Test temperature:
No data reported
pH:
No data reported
Dissolved oxygen:
No data reported
Salinity:
No data reported
Nominal and measured concentrations:
No data reported
Details on test conditions:
No data reported
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
16.5 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
not specified
Details on results:
No data reported
Results with reference substance (positive control):
No data reported
Reported statistics and error estimates:
No data reported

The substance is within the range of logkow and molecular weight allowed by ECOSAR. The training set of the model for this endpoint and chemical class is sufficiently large and contains chemicals that are closely related to the target substance (hydrocarbons). The chemical class to which the target substance was assigned (neutral organics) is correct, as it is a hydrocarbon acting via non-polar narcosis. Therefore the prediction is considered within domain.

Validity criteria fulfilled:
not applicable
Conclusions:
The 96 hour EC50 for green algae estimated to be 16.5 mg/L in fresh water.
Executive summary:

No experimental data are available for the effect of ethane on the toxicity of algae so QSAR calculations were used to estimate result. ECOSAR Program v1.00. in EPI Suite v4.00 has been used which is acceptable with restrictions. The 96 hour EC50 for green algae is estimated to be 16.5 mg/L in fresh water.

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2008
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non GLP, TGD guideline, QSAR calculation, acceptable with restriction
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
The Ecosar class program has been developed primarily for the evaluation of neutral organic compounds and organic classes with excess toxicity. The QSARs in the Ecosar program are developed for chemical classes based on measured test data that have been submitted by industry or they are developed by other sources for chemicals with similar structures, e.g. phenols. Using the measured aquatic toxicity values and estimated Kow values, regression equations can be developed for a class of chemicals. Toxicity values for new chemicals may then be calculated by inserting the Kow into the regression equation and correcting the resultant value for the molecular weight of the compound.
GLP compliance:
no
Specific details on test material used for the study:
SMILES used as input for the calculation:

Isobutane: CC(C)C
Analytical monitoring:
not specified
Details on sampling:
No data reported
Vehicle:
not specified
Details on test solutions:
No data reported
Test organisms (species):
other: Green algea (no further information)
Details on test organisms:
No data reported
Test type:
not specified
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Post exposure observation period:
No data reported
Hardness:
No data reported
Test temperature:
No data reported
pH:
No data reported
Dissolved oxygen:
No data reported
Salinity:
No data reported
Nominal and measured concentrations:
No data reported
Details on test conditions:
No data reported
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
8.57 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
not specified
Details on results:
No data reported
Results with reference substance (positive control):
No data reported
Reported statistics and error estimates:
No data reported

The substance is within the range of logkow and molecular weight allowed by ECOSAR. The training set of the model for this endpoint and chemical class is sufficiently large and contains chemicals that are closely related to the target substance (hydrocarbons). The chemical class to which the target substance was assigned (neutral organics) is correct, as it is a hydrocarbon acting via non-polar narcosis. Therefore the prediction is considered within domain.

Validity criteria fulfilled:
not applicable
Conclusions:
The 96 hour EC50 for green algae is estimated to be 8.57 mg/L in fresh water.
Executive summary:

No experimental data are available for the effect of isobutane on the toxicity of algae so QSAR calculations were used to estimate the result. ECOSAR Program v1.00. in EPI Suite v4.00 has been used which is acceptable with restrictions. The 96 hour EC50 for green algae is estimated to be 8.57 mg/L in fresh water.

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2009
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non-GLP, TGD guideline, QSAR calculation, reliable with restrictions
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
The Ecosar class program has been developed primarily for the evaluation of neutral organic compounds and organic classes with excess toxicity. The QSARs in the Ecosar program are developed for chemical classes based on measured test data that have been submitted by industry or they are developed by other sources for chemicals with similar structures, e.g. phenols. Using the measured aquatic toxicity values and estimated Kow values, regression equations can be developed for a class of chemicals. Toxicity values for new chemicals may then be calculated by inserting the Kow into the regression equation and correcting the resultant value for the molecular weight of the compound.
GLP compliance:
no
Remarks:
Not applicable
Specific details on test material used for the study:
SMILES used as input for the calculation:

Methane: C
Analytical monitoring:
not specified
Details on sampling:
No data reported
Vehicle:
not specified
Details on test solutions:
No data reported
Test organisms (species):
other: Algae
Details on test organisms:
No data reported
Test type:
other: Not applicable
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Post exposure observation period:
No data reported
Hardness:
No data reported
Test temperature:
No data reported
pH:
No data reported
Dissolved oxygen:
No data reported
Salinity:
No data reported
Nominal and measured concentrations:
No data reported
Details on test conditions:
No data reported
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
12.32 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
not specified
Details on results:
No data reported
Results with reference substance (positive control):
No data reported
Reported statistics and error estimates:
No data reported

The substance is within the range of logkow and molecular weight allowed by ECOSAR. The training set of the model for this endpoint and chemical class is sufficiently large and contains chemicals that are closely related to the target substance (hydrocarbons). The chemical class to which the target substance was assigned (neutral organics) is correct, as it is a hydrocarbon acting via non-polar narcosis. Therefore the prediction is considered within domain.

Validity criteria fulfilled:
not applicable
Remarks:
QSAR
Conclusions:
The calculated 96 hour EC50 for methane is 12.32 mg/L.
Executive summary:

No experimental data are available for the effect of methane on the toxicity of algae so QSAR calculations were used to estimate result. ECOSAR Program v1.00. in EPI Suite v4.00 has been used which is acceptable with restrictions. The 96 hour EC50 for algae is estimated to be 12.32 mg/L in fresh water.

Endpoint:
toxicity to aquatic algae and cyanobacteria
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2008
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Non GLP, TGD guideline, QSAR calculation, acceptable with restriction
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
The Ecosar class program has been developed primarily for the evaluation of neutral organic compounds and organic classes with excess toxicity. The QSARs in the Ecosar program are developed for chemical classes based on measured test data that have been submitted by industry or they are developed by other sources for chemicals with similar structures, e.g. phenols. Using the measured aquatic toxicity values and estimated Kow values, regression equations can be developed for a class of chemicals. Toxicity values for new chemicals may then be calculated by inserting the Kow into the regression equation and correcting the resultant value for the molecular weight of the compound.
GLP compliance:
no
Specific details on test material used for the study:
SMILES used as input for the calculation:

Propane: CCC
Analytical monitoring:
not specified
Details on sampling:
No data reported
Vehicle:
not specified
Details on test solutions:
No data reported
Test organisms (species):
other: Green algea (no further information)
Details on test organisms:
No data reported
Test type:
not specified
Water media type:
freshwater
Limit test:
no
Total exposure duration:
96 h
Post exposure observation period:
No data reported
Hardness:
No data reported
Test temperature:
No data reported
pH:
No data reported
Dissolved oxygen:
No data reported
Salinity:
No data reported
Nominal and measured concentrations:
No data reported
Details on test conditions:
No data reported
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
11.89 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
not specified
Details on results:
No data reported
Results with reference substance (positive control):
No data reported
Reported statistics and error estimates:
No data reported

The substance is within the range of logkow and molecular weight allowed by ECOSAR. The training set of the model for this endpoint and chemical class is sufficiently large and contains chemicals that are closely related to the target substance (hydrocarbons). The chemical class to which the target substance was assigned (neutral organics) is correct, as it is a hydrocarbon acting via non-polar narcosis. Therefore the prediction is considered within domain.

Validity criteria fulfilled:
not applicable
Conclusions:
The 96 hour EC50 for green algae is estimated to be 11.89 mg/L in fresh water.
Executive summary:

No experimental data are available for the effect of propane on the toxicity of algae so QSAR calculations were used to estimate result. ECOSAR Program v1.00. in EPI Suite v4.00 has been used which is acceptable with restrictions. The 96 hour EC50 for green algae estimated to be 11.89 mg/L in fresh water.

Description of key information

The EC50 for the toxicity of substances in the category to aquatic algae and cyanobacteria ranged from 7.71 - 16.5 mg/L. The results are above the water solubility for these substances.

Key value for chemical safety assessment

EC50 for freshwater algae:
7.71 mg/L

Additional information

No experimental data were available on the toxic effects of category members on algae. Due to the difficulty associated with aquatic toxicity testing with gases, QSAR calculations are considered suitable to estimate the effect concentration. ECOSAR Program v1.00 in EPI Suite v4.00 was used, which is acceptable with restrictions.The ECOSAR model is a reliable and appropriate QSAR model to apply to these substances as it is based on a related chemical dataset that calculates the toxicity of neutral organic hydrocarbons whose mode of action is non-polar narcosis.

QSAR calculations were conducted for substances which were representative of the carbon numbers of the members of the category (methane, ethane, propane, butane and isobutane). The 96 hour EC50 for algae is estimated to range from 7.71 to 16.5 mg/L in fresh water.