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EC number: 272-183-7 | CAS number: 68783-07-3 A complex combination obtained from various refinery processes. It consists of hydrogen, hydrogen sulfide and hydrocarbons having carbon numbers predominantly in the range of C1 through C5.
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
![](https://chesar.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_ecotoxicological-information.png)
Long-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:But-1-ene CAS number:106-98-9 SMILES structure:C(=C)CC - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 1.908 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 1.908 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of but-1-ene for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 1.908 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:But-2-ene, cis- CAS number:590-18-1 SMILES structure:C(=CC)C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 2.184 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 2.184 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of but-2 -ene, cis- for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 2.184 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:But-2-ene, trans- CAS number:624-64-6 SMILES structure:C(=CC)C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 2.184 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 2.184 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of but-2 -ene, trans- for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 2.184 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:Buta-1,3-diene CAS number:106-99-0 SMILES structure:C(C=C)=C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 2.325 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 2.325 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of buta-1,3-diene for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 2.325 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:Butane CAS number:106-97-8 SMILES structure:C(CC)C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 1.563 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 1.563 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of butane for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 1.563 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:Carbon monoxide CAS number:630-08-0 SMILES structure:O1=C=1 - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 19.883 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 19.883 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of carbon monoxide for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 19.883 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:Ethane CAS number:74-84-0 SMILES structure:CC - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 4.374 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 4.374 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of ethane for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 4.374 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:Ethene [aka ethylene] CAS number:74-85-1 SMILES structure:C=C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 4.507 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 4.507 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of ethene [aka ethylene] for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 4.507 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:Methane CAS number:74-82-8 SMILES structure:C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 5.978 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 5.978 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of methane for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 5.978 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:Pentane CAS number:109-66-0 SMILES structure: C(CCC)C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 0.834 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 0.834 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of pentane for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 0.834 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:Prop-1-ene CAS number:115-07-1 SMILES structure:C(=C)C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 3.327 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 3.327 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of prop-1-ene for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 3.327 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance: Prop-1-ene, 2-methyl- CAS number:115-11-7 SMILES structure:C(=C)(C)C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 1.732 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 1.732 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of prop-1-ene, 2 -methyl- for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 1.732 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:Propane CAS number:74-98-6 SMILES structure:C(C)C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 2.758 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 2.758 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of propane for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 2.758 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, reliable with restrictions
- Justification for type of information:
- Measured data are not available for this substance and endpoint. Due to the practical difficulties associated with the ecotoxicity testing of this substance, the use of QSAR toxicity estimates is an appropriate alternative. The ECOSAR model is a reliable and appropriate QSAR model to apply to this substance 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. The endpoint calculated here is therefore a reasonable estimate of its baseline toxicity.
- 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 value 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:
- Program: ECOSAR v.1.11 (Epi Suite 4.1)
Substance:Propane, 2-methyl- CAS number:75-28-5 SMILES structure:C(C)(C)C - Analytical monitoring:
- no
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Post exposure observation period:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not specified
- Remarks:
- Not reported
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 1.774 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- reproduction
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). This can be mathematically represented as: ChV = 10^([log (LOEC x NOEC)]/2).
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Calculated value
- Conclusions:
- The predicted ChV for this constituent for Daphnia sp. was 1.774 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of propane, 2 -methyl- for Daphnia sp. The Chronic Value (ChV) for Daphnia sp. was predicted to be 1.774 mg/L.
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Non-GLP, guideline study, published in peer reviewed literature, fully adequate for assessment.
- Qualifier:
- according to guideline
- Guideline:
- other: US EPA 600/4-91-003
- Principles of method if other than guideline:
- Standard, short-term, chronic toxicity test method developed for US EPA's Whole Effluent Testing Program (US EPA , 1994) followed with modifications to minimise volatization of test chemicals. Individual organisms were tested in 25ml borosilicate glass vials, filled to capacity and closed tightly with teflon PTFE-line silicon septa held in place with poplyproplyene screw on caps. Solutions were renewed daily. Dissolved oxygen was monitored on 24h old solution. Survival, behaviour and reproduction were observed at the time of daily renewal. Tests were continued until 60% of the control animals had completed three broods.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material :
not applicable - Analytical monitoring:
- yes
- Details on sampling:
- Toxicant concentrations were monitored at the start and end of the experiment. Newly prepared test solution and 24hours old test solution were analysed
- Vehicle:
- no
- Details on test solutions:
- stock solution was prepared by adding amounts of chemical below their reported water solubility to dilution water using glass syringes.
- Test organisms (species):
- Ceriodaphnia dubia
- Details on test organisms:
- obtained from Aquastar, Inc. (Mobile, Alabama) and cultured in house. Fed an algae and cereal leaf mix.
- Test type:
- semi-static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 7 d
- Post exposure observation period:
- none
- Hardness:
- 68.3mg.L-1
- Test temperature:
- data not reported
- pH:
- mean 7.598
- Dissolved oxygen:
- >7.0ppm
- Salinity:
- not applicable
- Nominal and measured concentrations:
- Measured concentrations: 0, 12, 21, 38, 114, 221µM. based on reasonably steady-state. Chronic results reported as the geometric mean of the measured concentrations throughout the experiment. Replicates that lost >50% test substance between renewals were excluded (no info on whether this rule was applied).
- Details on test conditions:
- Light 16hrs: Dark 8hrs
- Reference substance (positive control):
- no
- Duration:
- 7 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 38 other: µM
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- reproduction
- Duration:
- 7 d
- Dose descriptor:
- LOEC
- Effect conc.:
- 114 other: µM
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- reproduction
- Duration:
- 7 d
- Dose descriptor:
- IC50
- Effect conc.:
- 149 other: µM
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- reproduction
- Details on results:
- Results equal 7d NOEC 3 mg.L-1, LOEC 8.9 mg.L-1, EC50 11.6 mg.L-1
- Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- 95% confidence limits on IC50 141-155µM
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The 7 day NOEC for chronic toxicity to invertebrates is 3mg/L
- Executive summary:
Based on standard guideline with acceptable modifications due to volatility of test compound. Measured confirmation of exposure concentrations and results from controls.This is therefore suitable for use as the key study for this endpoint in the EU RAR for benzene (2002).
Referenceopen allclose all
Description of key information
The members of this category are gases at standard temperature and pressure and will predominantly partition to the atmosphere, what will limit their aquatic toxicity. Consequently, conducting aquatic ecotoxicity tests is technically difficult and based on exposure estimates the test may not be relevant. In addition, it is difficult to assess the toxicity of UVCB streams using standard test methods. Instead, it is more appropriate to consider the toxicity of representative constituents of these streams.
Due to the difficulty associated with conducting aquatic toxicity tests, experimental data is available only for a members of this category: Benzene (CAS 71-43-2). The 7-day NOEC for chronic toxicity for benzene for Ceriodaphnia dubia was 3 mg/L.
For the other members of this category, the use of QSAR to predict the ecotoxicity of representative constituents is an appropriate technique for aquatic toxicity. ECOSAR v.1.11 (Epi Suite 4.1) has been used as key QSAR. The representative constituents of the category studied and used as supporting read-across are But-1-ene (CAS 106-98-9), But-2-ene, cis- (CAS 590-18-1), But-2-ene, trans- (CAS 624-64-6), Buta-1,3-diene (CAS 106-99-0), Butane (CAS 106-97-8), Carbon Monoxide (CAS 630-08-0), Ethane (CAS 74-84-0), Ethene [aka Ethylene] (CAS 74-85-1), Methane (CAS 74-82-8), Pentane (CAS 109-66-0), Prop-1-ene (CAS 115-07-1), Prop-1-ene, 2-methyl- (CAS 115-11-7), Propane (CAS 74-98-6), Propane, 2-methyl- (CAS 75-28-5). The model predicted chronic value for long-term toxicity to aquatic invertebrates to range from 0.834 mg/L - 19.9 mg/L.
Key value for chemical safety assessment
Additional information
Experimental data
Niederlehner et al., (1998) followed a standard guideline to determine the reproductive toxicity of benzene to Ceriodaphnia dubia. The exposure concentrations were monitored and a 7 days NOEC of 38 µM was reported. This equates to a NOEC of 3 mg/L. This value was also the most conservative chronic endpoint for invertebrates identified in the EU RAR for benzene (2008).
QSAR data
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 value into the regression equation and correcting the resultant value for the molecular weight of the compound.
The predicted values were:
Constituent Name | CAS number | ChV Aq. Inv. (mg/L) |
But-1-ene | 106-98-9 | 1.91 |
But-2-ene, cis- | 590-18-1 | 2.18 |
But-2-ene, trans- | 624-64-6 | 2.18 |
Buta-1,3-diene | 106-99-0 | 2.33 |
Butane | 106-97-8 | 1.56 |
Carbon Monoxide | 630-08-0 | 19.88 |
Ethane | 74-84-0 | 4.37 |
Ethene [aka Ethylene] | 74-85-1 | 4.51 |
Methane | 74-82-8 | 5.98 |
Pentane | 109-66-0 | 0.83 |
Prop-1-ene | 115-07-1 | 3.33 |
Prop-1-ene, 2-methyl- | 115-11-7 | 1.73 |
Propane | 74-98-6 | 2.76 |
Propane, 2-methyl- | 75-28-5 | 1.77 |
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