Registration Dossier
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Diss Factsheets
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EC number: 203-694-5 | CAS number: 109-67-1
- 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:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- From 2017-07-13 to 2017-07-17
- 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
- Justification for type of information:
- QSAR predictions
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 203 (Fish, Acute Toxicity Test)
- Deviations:
- not applicable
- Remarks:
- (QSAR model)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method C.1 (Acute Toxicity for Fish)
- Deviations:
- not applicable
- Remarks:
- (QSAR model)
- Principles of method if other than guideline:
- The purpose of this QSAR model is to accurately predict the acute toxicity to fish as would be expected in a laboratory experiment following the OECD Guideline 203 (1) and EC method C.1 (2) for specific, named modes of action to provide a value that can effectively replace a 96-hour LC50 value from an experimental study. The regression based method used to achieve this has been fully validated following the OECD (2004) (3) recommendations (refer to the QMRF with JRC/KREATiS QMRF identifier: Q19-46-51-448 for further details).
- GLP compliance:
- no
- Specific details on test material used for the study:
- Not applicable
- Analytical monitoring:
- no
- Remarks:
- all tests used in the training set were based on measured data or on convincing evidence theat the test concentration was stable in the study; The results of the QSAR are therefore equivalent to measured concentrations
- Details on sampling:
- Not applicable
- Vehicle:
- no
- Details on test solutions:
- Not applicable
- Test organisms (species):
- other: Danio rerio, Oncorhynchus mykiss, Lepomis macrochirus, Pimephales promelas, Oryzias latipes, Leuciscus idus
- Details on test organisms:
- Results from the following species were used in the regression: Danio rerio, Oncorhynchus mykiss, Lepomis macrochirus, Pimephales promelas, Oryzias latipes, Leuciscus idus.
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 non-polar narcotic compounds, 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:
- 96 h
- Remarks on exposure duration:
- none
- 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 14 to 25 °C depending on the fish species used to construct the algorithm. While it is recognized that this may contribute to some extent to the variability of the LC50 values found in experimental data, KREATiS has not observed a clear trend suggesting that normalization to temperature would necessarily improve the algorithm (say for trout as opposed to warm water species) for mono-constituents. Nevertheless, this is a recognized area for further research by KREATiS.
- pH:
- The QSAR is based on data from studies performed 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:
- The QSAR is based on data from studies performed using measured concentrations or with acceptable stability.
- Details on test conditions:
- A variety of test designs were accepted: Preferentially results from a semi-static with daily renewal of test solutions and the control or from a flow-through test were used. However, for stable, low volatility substances a static design 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:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 5.9 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: 95% CL: 5.4-6.5 mg/L
- Details on results:
- The predicated value is reliable since the test substance falls within the applicability domain of the model. The water solubility value of the test substance is within descriptor domain of the model between log water solubility (in log (mol/L)) of -4.63 to 0.87. 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: 5.4-6.5 mg/L
QSAR statistical parameters are given in the QMRF and the QPRF - Sublethal observations / clinical signs:
No additional information
- Validity criteria fulfilled:
- yes
- Remarks:
- The substance falls into the applicability domains of the QSAR model.
- Conclusions:
- The 96-h LC50 based on mortality and measured concentrations was determined to be 5.9 mg/L with 95%-Confidence Limit between 5.4 and 6.5 mg/L.
- Executive summary:
A High Accuracy Quantitative Structure Activity Relationship (HA-QSAR) model was used to calculate the acute toxicity to fish exposed to the test item pent-1-ene. 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 the Guideline for Testing of Chemicals No. 203, "Fish Acute Toxicity Test" (1), referenced as Method C.1 of Commission Regulation No. 440/2008 (2). The criterion predicted was the LC50 (Median Lethal Concentration), a statistically derived concentration which is expected to cause mortality in 50% of test animals within a period of 96 hours.
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action (MOA) in question, i.e. non-polar narcosis (MOA1). The QSAR is based on validated data for a training set of 67 chemicals derived from 96-hour test on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period.
The 96-h LC50 based on mortality and measured concentrations was determined to be 5.9 mg/L with 95%-Confidence Limit between 5.4 and 6.5 mg/L.
Reference
Description of key information
QSAR model, iSafeRat holistic approach v1.7, key study, validity 1:
96h-LC50 = 5.9 mg/L (95% CL: 5.4 - 6.5 mg/L).
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 5.9 mg/L
Additional information
To assess the toxicity of the registerd substance to fish, one data point is available.
A High Accuracy Quantitative Structure Activity Relationship (HA-QSAR) model was used to calculate the acute toxicity to fish exposed to the test item pent-1-ene. 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 the Guideline for Testing of Chemicals No. 203, "Fish Acute Toxicity Test" (1), referenced as Method C.1 of Commission Regulation No. 440/2008 (2). The criterion predicted was the LC50 (Median Lethal Concentration), a statistically derived concentration which is expected to cause mortality in 50% of test animals within a period of 96 hours.
The acute toxicity to fish was determined using a validated QSAR for the Mode of Action (MOA) in question, i.e. non-polar narcosis (MOA1). The QSAR is based on validated data for a training set of 67 chemicals derived from 96-hour test on fish, for which the concentrations of the test item had been determined by chemical analyses over the test period.
The 96-h LC50 based on mortality and measured concentrations was determined to be 5.9 mg/L with 95%-Confidence Limit between 5.4 and 6.5 mg/L.
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