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Diss Factsheets
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EC number: 224-815-8 | CAS number: 4501-58-0
- 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 aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 9-10-2020
- 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:
- 1. SOFTWARE
EPISUITE
2. MODEL (incl. version number)
ECOSAR v2.0
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles: CC1=CC[C@H](CC=O)C1(C)C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached: No QMRF is currently available for this model. Methodology document for ECOSAR discussing model data, algorithm used and model performance has been provided.
5. APPLICABILITY DOMAIN
See attached report
6. ADEQUACY OF THE RESULT
See attached report - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR study
- GLP compliance:
- no
- Analytical monitoring:
- not required
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- other: Green Algae
- Test type:
- other: QSAR
- Water media type:
- other: not applicable
- Limit test:
- no
- Total exposure duration:
- 96 h
- Remarks on exposure duration:
- EC50 value
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Conductivity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 1.21 mg/L
- Remarks on result:
- other: QSAR result
- Details on results:
- Local model used in ECOSAR: Aldehydes, Mono
The physicochemical parameters provided as input to the model appears to be within the acceptable limits of the model. - Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- 96h EC50 Green Algae for 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde was predicted as 1.21 mg/L.
- Executive summary:
ECOSAR v2.0 was used to predict toxicity to aquatic algae for 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde. 96h EC50 Green Algae of 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde was predicted as 1.21 mg/L using ECOSAR v2.0.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 9-10-2020
- 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:
- 1. SOFTWARE
LEADSCOPE
2. MODEL (incl. version number)
LEADSCOPE MODEL APPLIER - ExoToxicity Suite Acute Freshwater Algae (v2)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles: CC1=CC[C@H](CC=O)C1(C)C
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF report
5. APPLICABILITY DOMAIN
See attached report
6. ADEQUACY OF THE RESULT
See attached report - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR study
- GLP compliance:
- no
- Analytical monitoring:
- not required
- Details on sampling:
- not applicable
- Vehicle:
- no
- Details on test solutions:
- not applicable
- Test organisms (species):
- other: Freshwater algae: Selenastrum capricornutum, Scenedesmus subspicatus, and Chlorella vulgaris
- Test type:
- other: QSAR
- Water media type:
- other: not applicable
- Limit test:
- no
- Total exposure duration:
- 96 h
- Remarks on exposure duration:
- ErC50 value
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- Salinity:
- not applicable
- Conductivity:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Details on test conditions:
- not applicable
- Reference substance (positive control):
- not required
- Duration:
- 96 h
- Dose descriptor:
- other: ErC50
- Effect conc.:
- > 1 - <= 10 mg/L
- Remarks on result:
- other: QSAR result
- Remarks:
- GHS classification: Category II
- Details on results:
- As mentioned in the Section 3.1 in the Leadscope QPRF report
Toxicity to aquatic algae and cyanobacteria (Algae Acute GHS Category) is modelled for the 3 binary endpoints: (1) GHS Category I: 1 for all Algae Acute GHS Category GHS Category I or GHS Category II or GHS Category III, 0 for all other categories; (2) GHS Category II: 1 for all Algae Acute GHS Category GHS Category II or GHS Category III, 0 for all other categories; (3) GHS Category III: 1 for all Algae Acute GHS Category GHS Category III, 0 for all other categories. The outcome of the QSAR prediction for a particular binary endpoint is given as the probability of being a positive prediction on a scale of 0 to 1. A Positive Prediction Probability value under the model’s minimum negative probability threshold is Negative and a probability of greater than or equal to the model’s maximum positive probability threshold is Positive. The overall Algae Acute GHS Category prediction then is the most severe category where a Positive prediction was determined. If none of the predictions were Positive, then the Algae Acute GHS Category is considered Not Classified (i.e. Negative). - Results with reference substance (positive control):
- not applicable
- Reported statistics and error estimates:
- not applicable
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Based on Leadscope evaluation, 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde will be classified under Category II of GHS classification for toxicity to aquatic algae and cyanobacteria.
- Executive summary:
Leadscope model was used to predict the toxicity to aquatic algae for 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde. Based on Leadscope evaluation, 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde will be classified under Category II of GHS classification for toxicity to aquatic algae and cyanobacteria.
Referenceopen allclose all
Description of key information
Two QSAR models were used to predict the toxicity to aquatic algae and cyanobacteria for 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde: a) ECOSAR which provided a quantitative result (96h EC50 Green Algae) and b) Leadscope which provided a qualitative result (GHS category based on 96h ErC50 Green Algae).
Results:
ECOSAR: 1.21 mg/L (96h EC50 Green Algae)
Leadscope: Category II (GHS classification for toxicity to aquatic toxicity and cyanobacteria).
The results from both these models are coherent.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 1.21 mg/L
Additional information
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.