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EC number: 295-463-0 | CAS number: 92045-80-2 A complex combination of hydrocarbons obtained by subjecting a liquified petroleum gas mix to a sweetening process to oxidize mercaptans or to remove acidic impurities. It consists predominantly of C4 saturated and unsaturated hydrocarbons.
- 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
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to fish
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: non-GLP, near guideline study, published in peer reviewed literature, acceptable with restrictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 203 (Fish, Acute Toxicity Test)
- Principles of method if other than guideline:
- Juvenile fish exposed to seven test concentrations, with a concentration spacing factor of 2, for 96 hours. Four replicates per test concentration. Control groups. 10 fish per replicate. Mortality measured daily, behaviour and condition checked twice daily.
- 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:
- Daily sampling and analysis of exposure concentrations
- Vehicle:
- no
- Details on test solutions:
- Seven test concentrations and a control. Undiluted benzene was added to a toxicant head tank and mixed with a predetermined flow of water to form the highest test concentration. This was further diluted to form the lower test concentrations
- Test organisms (species):
- Oncorhynchus mykiss (previous name: Salmo gairdneri)
- Details on test organisms:
- Juvenile. Held in laboratory well water for at least 10 days prior to testing. Obtained from State of Wyoming Game and Fish Department. At the end of the test the mean weight was 13.9g, and mean length was 106mm. Pimephales promelas were also tested.
- Test type:
- flow-through
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- Post exposure observation period:
- none
- Hardness:
- 535-596 mg.L-1 as CaCO3
- Test temperature:
- 15°C (± 2°C)
- pH:
- 7.9-8.0
- Dissolved oxygen:
- 7 mg.L-1
- Salinity:
- not applicable
- Nominal and measured concentrations:
- Nominal and measured test concentrations not stated.
- Details on test conditions:
- Light = 16 hrs, dark = 8hrs. Two replicates of 10 fish
- Reference substance (positive control):
- no
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 5.3 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Details on results:
- 96 hour LC30 for Pimiphales promelas 15.1mg/L
- Results with reference substance (positive control):
- data not reported
- Reported statistics and error estimates:
- LC50 determined by the graphical method given in Standard Methods (APHA, 1975)
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The 96 hour LC50 for benzene is 5.3 mg/L.
- Executive summary:
This study follows closely with OECD Guideline 203 with some differences; hardness was greater, fish were larger than recommended and although exposure concentrations were measured neither the nominal nor measured values were recorded in the paper. However, this was used as the key study for this endpoint in the EU RAR, 2002.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 32.471 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 32.471 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 fish. The 96 -hour LC50 for fish was predicted to be 32.471 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 38.201 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 38.201 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 fish. The 96 -hour LC50 for fish was predicted to be 38.201 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 38.201 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 38.201 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 fish. The 96 -hour LC50 for fish was predicted to be 38.201 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 41.505 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 41.505 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 fish. The 96 -hour LC50 for fish was predicted to be 41.505 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 25.37 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 25.370 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of butane for fish. The 96 -hour LC50 for fish was predicted to be 25.370 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 627.644 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 627.644 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 fish. The 96 -hour LC50 for fish was predicted to be 627.644 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 100.049 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- Ethane is not soluble enough to measure this predicted effect.
- 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 96-hour LC50 for this constituent for fish was 100.049 mg/L. However, ethane is not soluble enough to measure this predicted effect.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of ethane for fish. The 96 -hour LC50 for fish was predicted to be 100.049 mg/L. However, ethane is not soluble enough to measure this predicted effect.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 105.192 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 105.192 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 fish. The 96 -hour LC50 for fish was predicted to be 105.192 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 165.536 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- Details on results:
- Methane is not soluble enough to measure this predicted effect.
- 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 96-hour LC50 for this constituent for fish was 165.536 mg/L. However, methane is not soluble enough to measure this predicted effect.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of methane for fish. The 96 -hour LC50 for fish was predicted to be 165.536 mg/L. However, methane is not soluble enough to measure this predicted effect.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 11.406 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 11.406 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of pentane for fish. The 96 -hour LC50 for fish was predicted to be 11.406 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 67.237 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 67.237 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 fish. The 96 -hour LC50 for fish was predicted to be 67.237 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 28.908 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 28.908 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 fish. The 96 -hour LC50 for fish was predicted to be 115 -11 -7 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 53.141 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 53.141 mg/L.
- Executive summary:
The ECOSAR model was used as a reliable and appropriate QSAR model to predict the baseline toxicity of propane for fish. The 96 -hour LC50 for fish was predicted to be 53.141 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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:
- not specified
- Remarks:
- This is a calculated value
- 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):
- other: fish
- Details on test organisms:
- not applicable
- Test type:
- not specified
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- 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):
- no
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 29.535 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR prediction
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: QSAR prediction value
- 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 96-hour LC50 for this constituent for fish was 29.535 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 fish. The 96 -hour LC50 for fish was predicted to be 29.535 mg/L.
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 member of this category: Benzene (CAS 71-43-2). The 96-hour LC50 for benzene for Oncorhynchus mykiss was 5.3 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 this endpoint. 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). Benzene (CAS 71-43-2). The model predicted LC50 for short-term toxicity to fish to range from 11.4 mg/L to 623 mg/L.
Key value for chemical safety assessment
Additional information
Experimental data
The lowest 96 hour LC50 for Oncorhynchus mykiss from a flow through study with analytical monitoring of the exposure concentrations of benzene was reported by DeGraeve et al (1982). The study design was similar to the standard OECD 203 guideline and used Oncorhynchus mykiss, a standard test species. This value was also the most conservative acute endpoint for freshwater fish 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 | LC50 fish (mg/L) |
But-1-ene | 106-98-9 | 32.47 |
But-2-ene, cis- | 590-18-1 | 38.20 |
But-2-ene, trans- | 624-64-6 | 38.20 |
Buta-1,3-diene | 106-99-0 | 41.51 |
Butane | 106-97-8 | 25.37 |
Carbon Monoxide | 630-08-0 | 627.64 |
Ethane | 74-84-0 | 100.05* |
Ethene [aka Ethylene] | 74-85-1 | 105.19 |
Methane | 74-82-8 | 165.54* |
Pentane | 109-66-0 | 11.41 |
Prop-1-ene | 115-07-1 | 67.24 |
Prop-1-ene, 2-methyl- | 115-11-7 | 28.91 |
Propane | 74-98-6 | 53.14 |
Propane, 2-methyl- | 75-28-5 | 29.54 |
* Ethane and methane are not soluble enough to measure this predicted effect.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.