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EC number: 245-846-3 | CAS number: 23727-15-3
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Justification for type of information:
- (-) CAMPHOLENIC ALDEHYDE is an isomer of (+) CAMPHOLENIC ALDEHYDE. Data on (+) CAMPHOLENIC ALDEHYDE can be extrapolated to (-) CAMPHOLENIC ALDEHYDE.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 1.77 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. - Validity criteria fulfilled:
- not applicable
- Conclusions:
- 48h LC50 Daphnia for 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde was predicted as 1.77 mg/L using ECOSAR v2.0.
- Executive summary:
ECOSAR v2.0 was used to predict short-term toxicity to aquatic invertebrates for 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde. 48h LC50 Daphnia of 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde was predicted as 1.77 mg/L using ECOSAR v2.0.
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- supporting study
- Justification for type of information:
- (-) CAMPHOLENIC ALDEHYDE is an isomer of (+) CAMPHOLENIC ALDEHYDE. Data on (+) CAMPHOLENIC ALDEHYDE can be extrapolated to (-) CAMPHOLENIC ALDEHYDE.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 10 - <= 100 mg/L
- Basis for effect:
- other: growth inhibiton
- Remarks on result:
- other: QSAR result
- Remarks:
- GHS Classification: Category III
- Details on results:
- Section 3.1b of QMRF provided by Leadscope for this endpoint:
Short-term toxicity to aquatic inverterbrates (Invertebrate Acute GHS Category) is modelled for the 3 binary endpoints: (1) GHS Category I: 1 for all Invertebrate 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 Invertebrate Acute GHS Category GHS Category II or GHS Category III, 0 for all other categories; (3) GHS Category III: 1 for all Invertebrate 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 Invertebrate 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 Invertebrate 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, the query chemical will be classified under Category III of GHS classification for short term toxicity to aquatic invertebrates.
- Executive summary:
Leadscope model applier v3.0.0-30 was used to evaluate the short-term toxicity to aquatic invertebrates of 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde.
Based on Leadscope evaluation, the query chemical will be classified under Category III of GHS classification for short term toxicity to aquatic invertebrates.
Referenceopen allclose all
Description of key information
Two QSAR models realised on (+) Campholenic aldehyde were applied to predict the short-term toxicity to aquatic invertebrates of (-) Campholenic aldehyde: a) ECOSAR which provided a quantitative result (the 48h LC50 value) and b) Leadscope which provided a qualitative result (GHS category based on 48h EC50 value).
Results:
ECOSAR: 1.77 mg/L (48h LC50 Daphnia)
Leadscope: Category III (GHS classification based on 48h EC50 Daphnia)
Combining the results from both models, worst case scenario between the two QSAR results was selected as the final result (results from ECOSAR).
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 1.77 mg/L
Additional information
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