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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
Toxicity to microorganisms
Administrative data
Link to relevant study record(s)
- Endpoint:
- activated sludge respiration inhibition testing
- 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 209 (Activated Sludge, Respiration Inhibition Test (Carbon and Ammonium Oxidation))
- Deviations:
- not applicable
- Remarks:
- QSAR model
- Principles of method if other than guideline:
- The purpose of this QSAR model is to accurately predict the toxicity to microorganisms as would be expected in a laboratory experiment following OECD Guideline 209 (1) and EC method C.11 (2) for specific, named modes of action to provide a value that can effectively replace a 30 to 180 minutes EC50 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 KREATiS QMRF identifier: KTS/QMRF/ASR/01 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
- Details on test solutions:
- not applicable
- Test organisms (species):
- other: This study is not performed on a single or known species as such. Results were acquired from studies where the following test system was used: Activated sludge collected and treated according to the method outlined in OECD 209
- Test type:
- other: QSAR
- Remarks on exposure duration:
- 30-180 min (see below)
- Post exposure observation period:
- Results from a test duration of 30 to 180 minutes only were used for this algorithm. The data were separated into two groups (30 and 180 minutes) but the variability between results was not considered important enough to merit the production of two separate models. Thus 30-180 minute data were compiled.
- Hardness:
- The QSAR is based on data from studies performed at acceptable hardness to ensure control survival.
- Test temperature:
- The temperatures varied from approximately 20 to 25 °C depending on the studies used to construct the algorithm. This small difference is not expected to contribute to the variability of the EC50 values found in experimental data.
- pH:
- Test results were taken from studies with measured pHs between 6 - 9.
- Dissolved oxygen:
- The QSAR is based on data from studies performed at acceptable oxygen concentrations (generally >60%).
- Salinity:
- not applicable
- Nominal and measured concentrations:
- This study is typically performed using nominal concentrations. In the case where the test substance was highly volatile this could have caused bias and attempts were made to use measured values when these were available.
- Details on test conditions:
- Following OECD 209, all studies used a static test design. 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
- Dose descriptor:
- EC50
- Effect conc.:
- 45 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- inhibition of total respiration
- Remarks on result:
- other: 95%CL: 30-67 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% confidence interval (α = 0.05): 30 – 67 mg/L
Information about the statistical validity of the model is provided in the QMRF report KTS/QMRF/ASR/01. - Validity criteria fulfilled:
- yes
- Remarks:
- The substance falls into the applicability domains of the QSAR model.
- Conclusions:
- The 30-180min EC50 based on inhibition of respiration was determined to be 45 mg/L with 95%-Confidence Limit between 30 and 67 mg/L.
- Executive summary:
A QSAR model was used to calculate the inhibition of respiration to activated sludge of 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 Guideline for Testing of Chemicals No. 209, "Activated Sludge, Respiration Inhibition Test (Carbon and Ammonium Oxidation)" (1), referenced as Method C.11 of Commission Regulation No. 440/2008 (2). The criterion predicted was the 30 to 180 minutes EC50 (Median Effective Concentration for specific respiration rate), a statistically derived concentration which is expected to cause 50% inhibition of intrinsic rate of respiration of the test system within a period of 30 to 180 minutes as an effect on the organic carbon oxidation process. The results from this study do not include the supplementary test results that may be required to determine the effect on nitrification. It should be noted that a specific test duration time could not be determined for this model as 30 and 180 minute data were available but not in sufficient quantity to separate them into two separate models.
The respiration inhibition of activated sludge was determined using a validated QSAR model for the Mode of Action in question (MOA 1, non-polar narcosis). The QSAR model is based on validated data for a training set of 12 chemicals derived from 30-180 minute EC50 for which the concentrations of the test item had been determined by chemical analyses over the test period. Further valid data were available but the values were all above the water solubility of the substance and were therefore not included as part of the regression. On the other hand, these data could be used to determine the point at which the regression no longer holds true and results from experimental studies on this MOA are expected to be greater than the solubility limit (i.e. test substance concentrations up to 100 mg/L will result in no effect on activated sludge respiration).
The 30-180 min EC50 based on inhibition of respiration was determined to be 45 mg/L with 95%-Confidence Limit between 30 and 67 mg/L.
Reference
No additional informations
Description of key information
QSAR model, iSafeRat holistic approach v1.7, key study, validity 1:
30 -180min EC50 = 45 mg/L (95% CL: 30 - 67 mg/L).
Key value for chemical safety assessment
- EC50 for microorganisms:
- 45 mg/L
Additional information
To assess the toxicity of the registered substance to microorganisms, one data point is available.
A QSAR model was used to calculate the inhibition of respiration to activated sludge of 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 Guideline for Testing of Chemicals No. 209, "Activated Sludge, Respiration Inhibition Test (Carbon and Ammonium Oxidation)" (1), referenced as Method C.11 of Commission Regulation No. 440/2008 (2). The criterion predicted was the 30 to 180 minutes EC50 (Median Effective Concentration for specific respiration rate), a statistically derived concentration which is expected to cause 50% inhibition of intrinsic rate of respiration of the test system within a period of 30 to 180 minutes as an effect on the organic carbon oxidation process. The results from this study do not include the supplementary test results that may be required to determine the effect on nitrification. It should be noted that a specific test duration time could not be determined for this model as 30 and 180 minute data were available but not in sufficient quantity to separate them into two separate models.
The respiration inhibition of activated sludge was determined using a validated QSAR model for the Mode of Action in question (MOA 1, non-polar narcosis). The QSAR model is based on validated data for a training set of 12 chemicals derived from 30-180 minute EC50 for which the concentrations of the test item had been determined by chemical analyses over the test period. Further valid data were available but the values were all above the water solubility of the substance and were therefore not included as part of the regression. On the other hand, these data could be used to determine the point at which the regression no longer holds true and results from experimental studies on this MOA are expected to be greater than the solubility limit (i.e. test substance concentrations up to 100 mg/L will result in no effect on activated sludge respiration).
The 30-180 min EC50 based on inhibition of respiration was determined to be 45 mg/L with 95%-Confidence Limit between 30 and 67 mg/L.
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.
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