Registration Dossier
Registration Dossier
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Diss Factsheets
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EC number: 415-490-5 | CAS number: 141773-73-1 HELVETOLIDE
- 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
Long-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- fish early-life stage toxicity
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
- Justification for type of information:
- JUSTIFICATION FOR DATA WAIVING
In accordance with column 2 of REACH annex IX, further testing on the long-term effects on aquatic organisms does not need to be conducted as the chemical safety assessment does not indicate a need for further investigation. - Endpoint:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Remarks:
- QSAR result on the C6 isomers of the transformation product of the registered substance
- Adequacy of study:
- supporting study
- Study period:
- Run on 2016-01
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Remarks:
- (Q)SAR method with established scientific validity. The substance, C6 isomers of the transformation product of the registered substance, falls within the applicability domain of the model.
- Justification for type of information:
- 1. SOFTWARE
EPISUITE v4.1
2. MODEL (incl. version number)
ECOSAR v1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C6 isomers of the transformation product of the registered substance: C1C(C)(C)CCCC1C(C)OC(C)(C)COH
log Pow: 4.33 (experimental result)
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Neutral Organics SAR document in "Attached background material".
5. APPLICABILITY DOMAIN
See attached QPRF
6. ADEQUACY OF THE RESULT
See attached QPRF - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- See attached QPRF
- GLP compliance:
- no
- Remarks:
- (not relevant)
- Specific details on test material used for the study:
- - log Pow: 4.33 (experimental result)
- Details on sampling:
- Not applicable
- Details on test solutions:
- Not applicable
- Test organisms (species):
- no data
- Details on test organisms:
- Not applicable
- Test type:
- not specified
- Water media type:
- not specified
- 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
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 0.19 mg/L
- Remarks on result:
- other: ECOSAR Class: Neutral Organics
- Details on results:
- Validity of model:
1. Defined Endpoint: Long term toxicity to fish (chronic value).
2. Unambigous algorithm: Linear regression QSAR; Log ChV (mmol/L) = -0.8508*log Kow + 0.6063.
To convert the ChV from mmol/L to mg/L, multiply by the molecular weight.
3. Applicability domain: applicable to chemicals with log Kow less than 8.0 and molecular weight less than 1000 g/mol. The model can be suitable for chemicals class of neutral organic.
4. Statistical characteristics: N = 46+7 and the coefficient of determination R² = 0.7393.
5. Mechanistic interpretation: related to the partitioning of the substance from water into the organisms lipid phase.
Adequacy of prediction: the substance falls within the applicability domain described above and therefore the predicted value can be considered reliable. For more information, see Neutral Organics SAR document in "Attached background material". - Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- N = 46+7 and the coefficient of determination R² = 0.7393.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The C6 isomers of the transformation product of the registered substance was predicted to have a chronic value ChV of 0.19 mg/L to fish. The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Executive summary:
The long term toxicity to fish of the C6 isomers of the transformation product of the registered substance was estimated using the ECOSAR v1.11 QSAR model available from the U.S. EPA.
The estimation chronic value ChV was 0.19 mg/L (neutral organics class), calculated from a measured log Kow value (4.33) and a linear regression:
Log ChV (mmol/L) = -0.8508*log Kow + 0.6063
The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Endpoint:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Remarks:
- QSAR result on the C6 isomers of the transformation product of the registered substance
- Adequacy of study:
- supporting study
- Study period:
- From 2016-01-05 to 2016-01-06
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- QSAR value. The substance, C6 isomers of the transformation product of the registered substance, falls into the applicability domain of the model QSAR
- Justification for type of information:
- 1. SOFTWARE
iSafeRat® High Accuracy QSAR to predict the chronic aquatic toxicity : Long-term toxicity to fish
2. MODEL (incl. version number)
iSafeRat® High Accuracy QSAR to predict the chronic aquatic toxicity v1.1.
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C6 isomers of the transformation product of the registered substance: C1C(C)(C)CCCC1C(C)OC(C)(C)COH
Water solubility = 35.0 mg/L (KREATIS internal study, 2015), derived using the log Kow experimental value at 4.33
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF
5. APPLICABILITY DOMAIN
See attached QPRF
6. ADEQUACY OF THE RESULT
See attached QPRF - Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 210 (Fish, Early-Life Stage Toxicity Test)
- Deviations:
- not applicable
- Remarks:
- (QSAR model)
- Principles of method if other than guideline:
- The purpose of this QSAR model is to accurately predict the chronic toxicity to fish as would be expected in a laboratory experiment following OECD Guideline 210 for specific, named modes of action, to provide a value that can effectively replace a 28-day NOEC value from an experimental study. The regression based method used to achieve this has been fully validated following the OECD (2004) recommendations (refer to the QMRF with KREATiS QMRF identifier: KTS/QMRF/CHR/01 for further details).
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Mode of action: non-polar narcotic (MOA 1 or MechoA 1.1)
- Log Kow = 4.33 (from experimental study)
- Water solubility = 35.0 mg/L (KREATIS internal study, 2015) - Analytical monitoring:
- no
- Details on sampling:
- Not applicable
- Vehicle:
- no
- Details on test solutions:
- Not applicable
- Test organisms (species):
- other: Danio rerio, Pimephales promelas, Oryzias latipes, Leuciscus idus, Jordanella floridae, Cyprinus carpio
- Details on test organisms:
- Results from the following species were used in the regression:
Danio rerio, Pimephales promelas, Oryzias latipes, Leuciscus idus, Jordanella floridae, Cyprinus carpio
Following the principles of Phase Equilibrium Thermodynamics, for narcotic substances, no difference in relationship between solubility and ecotoxicity between fish freshwater species is expected. Any observed differences may be attributed to lifestyle related parameters (e.g. relative differences in storage lipid content between species) and relative duration of study versus bodysize rather than to a specific toxic mechanism causing species differences. In this case, for MOA 1 or MechoA 1.1, no differences were observed in activity based toxicity for the species used. - Test type:
- other: QSAR
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 28 d
- Remarks on exposure duration:
- Only results from a test duration of 14* to 32 days were included. The median study duration was 28 days. *These results were from short term embryo studies where the log KOW of the substance was <4 and equilibrium was considered to be reached.
- Post exposure observation period:
- None
- Hardness:
- The QSAR is based on data from studies performed at acceptable hardness to ensure control survival.
- Test temperature:
- The temperatures varied from approximately 21 to 27 °C depending on the fish species used to construct the algorithm.
- pH:
- Test results were taken from studies with measured pHs between 6.0 - 8.5.
- Dissolved oxygen:
- The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%).
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Studies were used only where analytical measurements were made on the control and all relevant test concentrations whenever possible. Any exceptions (initial concentrations measured only or NOEC based on nominal values) were used only when sufficient justification for stability of the test was determined.
- Details on test conditions:
- Preferentially results from a flow-through test were used. However semi-static with daily renewal of test solutions and the control was accepted (preferably accompanied by analytical measurements over the study period). For suspected volatile substances only tests performed in closed vessels were accepted unless accompanying analytical monitoring proved such a design was not necessary.
- Reference substance (positive control):
- no
- Remarks:
- (QSAR model)
- Key result
- Duration:
- 28 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 0.39 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- other: growth or reproduction
- Remarks on result:
- other: 95% CL: 0.30-0.53 mg/L
- Details on results:
- The predicted value is reliable since the test substance falls within the applicability domain of the model. The value of water solubility value of the test substance is within descriptor domain of the model between log water solubility (in log (mol/L)) of -5.56 to -0.32. Moreover the test substance is attributed to the class of non-polar narcotic compounds.
- Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- 95% CL: 0.30-0.53 mg/L
QSAR statistical parameters are given in the QMRF and the QPRF - Validity criteria fulfilled:
- yes
- Remarks:
- The substance falls into the applicability domain of the QSAR model.
- Conclusions:
- The 28d-NOEC of the C6 isomers of the transformation product of the registered substance was determined to be 0.39 mg/L with 95%-Confidence Limit between 0.30 and 0.53 mg/L.
- Executive summary:
A QSAR model model was used to calculate the chronic toxicity of the C6 isomers of the transformation product of the registered substance to fish. This QSAR model has been validated to be compliant with the OECD recommendations for QSAR modeling (OECD, 2004) and predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following OECD Guideline 210. The criterion predicted was the NOEC (No Observed Effect Concentration), a tested concentration which is observed to cause no effect on growth or survival within a period of 28 days.
The chronic toxicity to fish was determined using a validated QSAR for the Mode of Action in question (MOA 1 or MechoA 1.1, non-polar narcosis). The QSAR is based on validated data for a training set of 26 chemicals derived from 14 to 32-day test on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The water solubility of the substance given as input was predicted by the iSafeRat® solubility module using the experimental log Kow value of the substance, measured at 4.33. The substance falls within the applicability domain of the model as demonstrated in the QPRF.
The 28d-NOEC of the test item was determined to be 0.39 mg/L with 95%-Confidence Limit between 0.30 and 0.53 mg/L.
- Endpoint:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Remarks:
- QSAR result on the C7 isomer of the transformation product of the registered substance
- Adequacy of study:
- supporting study
- Study period:
- Run on 2016-01
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Remarks:
- (Q)SAR method with established scientific validity. The substance, C7 isomer of the transformation product of the registered substance, falls within the applicability domain of the model.
- Justification for type of information:
- 1. SOFTWARE
EPISUITE v4.1
2. MODEL (incl. version number)
ECOSAR v1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C7 isomer of the transformation product of the registered substance: OCC(C)(C)OC1CC(C)(C)CCCC1C
log Pow: 4.40 (KREATIS QSAR - iSafeRat v1.5, 2016)
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Neutral Organics SAR document in "Attached background material".
5. APPLICABILITY DOMAIN
See attached QPRF
6. ADEQUACY OF THE RESULT
See attached QPRF - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May 2008
- Deviations:
- no
- Principles of method if other than guideline:
- See attached QPRF
- GLP compliance:
- no
- Remarks:
- (not relevant)
- Specific details on test material used for the study:
- - log Pow: 4.40 (KREATIS QSAR - iSafeRat v1.5, 2016)
- Details on sampling:
- Not applicable
- Details on test solutions:
- Not applicable
- Test organisms (species):
- no data
- Details on test organisms:
- Not applicable
- Test type:
- not specified
- Water media type:
- not specified
- 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
- Key result
- Dose descriptor:
- other: ChV
- Effect conc.:
- 0.17 mg/L
- Remarks on result:
- other: ECOSAR Class: Neutral Organics
- Details on results:
- Validity of model:
1. Defined Endpoint: Long term toxicity to fish (chronic value).
2. Unambigous algorithm: Linear regression QSAR; Log ChV (mmol/L) = -0.8508*log Kow + 0.6063.
To convert the ChV from mmol/L to mg/L, multiply by the molecular weight.
3. Applicability domain: applicable to chemicals with log Kow less than 8.0 and molecular weight less than 1000 g/mol. The model can be suitable for chemicals class of neutral organic.
4. Statistical characteristics: N = 46+7 and the coefficient of determination R² = 0.7393.
5. Mechanistic interpretation: related to the partitioning of the substance from water into the organisms lipid phase.
Adequacy of prediction: the substance falls within the applicability domain described above and therefore the predicted value can be considered reliable. For more information, see Neutral Organics SAR document in "Attached background material". - Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- N = 46+7 and the coefficient of determination R² = 0.7393.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The C7 isomer of the transformation product of the registered substance was predicted to have a chronic value ChV of 0.17 mg/L to fish. The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Executive summary:
The long term toxicity to fish of the C7 isomer of the transformation product of the registered substance was estimated using the ECOSAR v1.11 QSAR model available from the U.S. EPA.
The estimation chronic value ChV was 0.17 mg/L (neutral organics class), calculated from an estimated log Kow value (4.40) and a linear regression:
Log ChV (mmol/L) = -0.8508*log Kow + 0.6063
The substance falls within the applicability domain and therefore the predicted value can be considered reliable.
- Endpoint:
- fish early-life stage toxicity
- Type of information:
- (Q)SAR
- Remarks:
- QSAR result on the C7 isomer of the transformation product of the registered substance
- Adequacy of study:
- supporting study
- Study period:
- From 2016-03-14 to 2016-03-16
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- QSAR value. The substance, C7 isomer of the transformation product of the registered substance, falls into the applicability domain of the model QSAR
- Justification for type of information:
- 1. SOFTWARE
iSafeRat® High Accuracy QSAR to predict the chronic aquatic toxicity : Long-term toxicity to fish
2. MODEL (incl. version number)
iSafeRat® High Accuracy QSAR to predict the chronic aquatic toxicity v1.1.
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C7 isomer of the transformation product of the registered substance: OCC(C)(C)OC1CC(C)(C)CCCC1C
Water solubility = 29.1 mg/L (KREATiS – Internal Study (2016))
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF
5. APPLICABILITY DOMAIN
See attached QPRF
6. ADEQUACY OF THE RESULT
See attached QPRF - Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 210 (Fish, Early-Life Stage Toxicity Test)
- Deviations:
- not applicable
- Remarks:
- (QSAR model)
- Principles of method if other than guideline:
- The purpose of this QSAR model is to accurately predict the chronic toxicity to fish as would be expected in a laboratory experiment following OECD Guideline 210 for specific, named modes of action, to provide a value that can effectively replace a 28-day NOEC value from an experimental study. The regression based method used to achieve this has been fully validated following the OECD (2004) recommendations (refer to the QMRF with KREATiS QMRF identifier: KTS/QMRF/CHR/01 for further details).
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Mode of action: non-polar narcotic (MOA 1 or MechoA 1.1)
- log Kow : 4.40 (KREATIS, 2016)
- Water solubility = 29.1 mg/L (KREATIS internal study, 2016) - Analytical monitoring:
- no
- Details on sampling:
- Not applicable
- Vehicle:
- no
- Details on test solutions:
- Not applicable
- Test organisms (species):
- other: Danio rerio, Pimephales promelas, Oryzias latipes, Leuciscus idus, Jordanella floridae, Cyprinus carpio
- Details on test organisms:
- Results from the following species were used in the regression:
Danio rerio, Pimephales promelas, Oryzias latipes, Leuciscus idus, Jordanella floridae, Cyprinus carpio
Following the principles of Phase Equilibrium Thermodynamics, for narcotic substances, no difference in relationship between solubility and ecotoxicity between fish freshwater species is expected. Any observed differences may be attributed to lifestyle related parameters (e.g. relative differences in storage lipid content between species) and relative duration of study versus bodysize rather than to a specific toxic mechanism causing species differences. In this case, for MOA 1 or MechoA 1.1, no differences were observed in activity based toxicity for the species used. - Test type:
- other: QSAR
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 28 d
- Remarks on exposure duration:
- Only results from a test duration of 14* to 32 days were included. The median study duration was 28 days. *These results were from short term embryo studies where the log KOW of the substance was <4 and equilibrium was considered to be reached.
- Post exposure observation period:
- None
- Hardness:
- The QSAR is based on data from studies performed at acceptable hardness to ensure control survival.
- Test temperature:
- The temperatures varied from approximately 21 to 27 °C depending on the fish species used to construct the algorithm.
- pH:
- Test results were taken from studies with measured pHs between 6.0 - 8.5.
- Dissolved oxygen:
- The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%).
- Salinity:
- Not applicable
- Nominal and measured concentrations:
- Studies were used only where analytical measurements were made on the control and all relevant test concentrations whenever possible. Any exceptions (initial concentrations measured only or NOEC based on nominal values) were used only when sufficient justification for stability of the test was determined.
- Details on test conditions:
- Preferentially results from a flow-through test were used. However semi-static with daily renewal of test solutions and the control was accepted (preferably accompanied by analytical measurements over the study period). For suspected volatile substances only tests performed in closed vessels were accepted unless accompanying analytical monitoring proved such a design was not necessary.
- Reference substance (positive control):
- no
- Remarks:
- (QSAR model)
- Key result
- Duration:
- 28 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 0.34 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- other: growth or reproduction
- Remarks on result:
- other: 95% CL: 0.25-0.46 mg/L
- Details on results:
- The predicated value is reliable since the test substance falls within the applicability domain of the model. The value of water solubility value of the test substance is within descriptor domain of the model between log water solubility (in log (mol/L)) of -5.56 to -0.32. Moreover the test substance is attributed to the class of non-polar narcotic compounds.
- Results with reference substance (positive control):
- Not applicable
- Reported statistics and error estimates:
- 95% CL: 0.25-0.46 mg/L
QSAR statistical parameters are given in the QMRF and the QPRF - Validity criteria fulfilled:
- yes
- Remarks:
- The substance falls into the applicability domain of the QSAR model.
- Conclusions:
- The 28d-NOEC of the C7 isomer of the transformation product of the registered substance to fish was determined to be 0.34 mg/L with 95%-Confidence Limit between 0.25 and 0.46 mg/L.
- Executive summary:
A QSAR model model was used to calculate the chronic toxicity of the C7 isomer of the transformation product of the registered substance to fish. This QSAR model has been validated to be compliant with the OECD recommendations for QSAR modeling (OECD, 2004) and predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following OECD Guideline 210. The criterion predicted was the NOEC (No Observed Effect Concentration), a tested concentration which is observed to cause no effect on growth or survival within a period of 28 days.
The chronic toxicity to fish was determined using a validated QSAR for the Mode of Action in question (MOA 1 or MechoA 1.1, non-polar narcosis). The QSAR is based on validated data for a training set of 26 chemicals derived from 14 to 32-day test on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period. The water solubility of the substance given as input was predicted by the iSafeRat® solubility module. The substance falls within the applicability domain of the model as demonstrated in the QPRF.
The 28d-NOEC of the test item to fish was determined to be 0.34 mg/L with 95%-Confidence Limit between 0.25 and 0.46 mg/L.
Referenceopen allclose all
No additional information
No additional information
No additional information
No additional information
Description of key information
In accordance with column 2 of REACH annex IX, further testing on the long-term effects on aquatic organisms does not need to be conducted for the registered substance as the chemical safety assessment does not indicate a need for further investigation. Therefore, a long-term toxicity study on the registered substance to fish is not needed.
Key value for chemical safety assessment
Additional information
In accordance with column 2 of REACH annex IX, further testing on the long-term effects on aquatic organisms does not need to be conducted for the registered substance as the chemical safety assessment does not indicate a need for further investigation. Therefore, a long-term toxicity study on the registered substance to fish is not needed.
In addition, the chronic toxicity of the transformation product (C6 and C7 isomers) of the registered substance, to fish was estimated using two QSAR models. The two QSAR models were ECOSAR v1.11 and iSafeRat High Accuracy QSAR v1.1. Both QSAR results were considered reliable as the substances, C6 and C7 isomers of the transformation product of the registered substance, fall within the applicability domain of the models. The estimated chronic values for C6 isomers were 0.19 mg/L (ChV) and 0.39 mg/L (28d-NOEC), using ECOSAR v1.11 and iSafeRat High Accuracy QSAR v1.1, respectively. The estimated chronic values for C7 isomer were 0.17 mg/L (ChV) and 0.34 mg/L (28d-NOEC), using ECOSAR v1.11 and iSafeRat High Accuracy QSAR v1.1, respectively. The worst case endpoint value, estimated at 0.17 mg/L for the C7 isomer, is chosen as key data for the long-term toxicity of the transformation product of the registered substance to fish.
These data demonstrate that the transformation product of the registered substance is not Toxic (T) in the context of PBT assessment.
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.