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Diss Factsheets
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EC number: 214-780-7 | CAS number: 1193-81-3
- 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
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Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017-2018
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- The executive summary of the QSAR prediction is presented in the endpoint summary. The QMRF and QPRF documentation files are included below in the Attached justification section.
- Qualifier:
- according to guideline
- Guideline:
- other: IR/CSR Guidance R.6 QSARs and grouping of chemicals, May 2008
- Version / remarks:
- In the QMR attached the model specifications are presented. In this QMR is referenced to the Methodology document for the ecological Structure-Activity Relationship model (ECOSAR) Class Programm MS Windows v1.11'. United States Environmental Protection Agency, Office of Pollution Prevention and Toxics, Washington DC (2012).
- Deviations:
- not applicable
- GLP compliance:
- no
- Test organisms (species):
- Daphnia sp.
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 20.3 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: QSAR predicted value
- Remarks:
- ECOSAR Class: Neutral organics
- Validity criteria fulfilled:
- yes
- Remarks:
- The ECOSAR-Neutral Organics equation is valid when using the OECD criteria. In addition, N=98 and R2 is 0.77
- Conclusions:
- ECOSAR v1.11 predicted that the 48h-EC50 of Veilex #3 to Daphnia is 20.3 mg/L.
- Executive summary:
The acute Daphnia EC50 for the neutral organic Veilex #3 is predicted to be 20.3 mg/L based on the ECOSAR SAR for neutral organics using an estimated log Kow of 2.546, molecular weight of 128.22 and the equation: Log 48h LC50 (mmol/L) = -0.858 log Kow + 1.3848. The 48-h LC50 is considered equivalent to the 48-h EC50 as defined in OECD TG 202.
Veilex #3 is in the applicability domain of the ECOSAR prediction because: a) Veilex #3 is an alcohol presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this alcohol); b) its estimated log Kow is 2.546 (=< 5); c) its MW is 128.22 (=< 1000); and; d) the toxicity predicted is below its measured water solubility of 5163 mg/L. Though the estimated log Kow is >0.5 higher than the measured log Kow (of 1.6) the estimated log Kow has been used being considered the conservative approach and is therefore considered acceptable.
A fairly close analogue available in the ECOSAR training set is 2-Picoline, 5-ethyl (CAS# 104-90-5, with an estimated Log Kow of 2.4 and molecular weight of 121) which has an experimental toxicity of 39.6 mg/L and an ECOSAR prediction of 26.15 mg/L, presenting the limited uncertainty of the prediction for 2-Picoline, 5-ethyl and thus also for Veilex #3.
The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Veilex #3 prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute Daphnia toxicity on neutral organics (see attached report). The adequate and reliable documentation, presented in the attached justification section, further supports this prediction.
Reference
ECOSAR v1.11 predicted that the 48h-EC50 of Veilex #3 to Daphnia is 20.3 mg/L.
Description of key information
ECOSAR v1.11 for neutral organics predicts that the 48h-EC50 of Veilex #3 to Daphnia is 20.3 mg/L.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 20.3 mg/L
Additional information
The acute Daphnia EC50 for the neutral organic Veilex #3 is predicted to be 20.3 mg/L based on the ECOSAR SAR for neutral organics using an estimated log Kow of 2.546, molecular weight of 128.22 and the equation: Log 48h LC50 (mmol/L) = -0.858 log Kow + 1.3848. The 48-h LC50 is considered equivalent to the 48-h EC50 as defined in OECD TG 202.
Veilex #3 is in the applicability domain of the ECOSAR prediction because: a) Veilex #3 is an alcohol presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this alcohol); b) its estimated log Kow is 2.546 (=< 5); c) its MW is 128.22 (=< 1000); and; d) the toxicity predicted is below its measured water solubility of 5163 mg/L. Though the estimated log Kow is >0.5 higher than the measured log Kow (of 1.6) the estimated log Kow has been used being considered the conservative approach and is therefore considered acceptable.
A fairly close analogue available in the ECOSAR training set is 2-Picoline, 5-ethyl (CAS# 104-90-5, with an estimated Log Kow of 2.4 and molecular weight of 121) which has an experimental toxicity of 39.6 mg/L and an ECOSAR prediction of 26.15 mg/L, presenting the limited uncertainty of the prediction for 2-Picoline, 5-ethyl and thus also for Veilex #3.
The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Veilex #3 prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute Daphnia toxicity on neutral organics (see attached report in the study record). The adequate and reliable documentation, presented in the attached justification section of the study record, further supports this prediction.
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.
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