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EC number: 202-223-0 | CAS number: 93-15-2
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Year of the study: 2003
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)
- GLP compliance:
- yes
- Specific details on test material used for the study:
- CAS number: 93-15-2, 4-Allyl-1,2-dimethoxybenzene
- Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Test type:
- not specified
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- ca. 38 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Duration:
- 21 d
- Dose descriptor:
- EC50
- Effect conc.:
- 13 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- other: reproduction
- Duration:
- 21 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 1.1 mg/L
- Nominal / measured:
- meas. (not specified)
- Conc. based on:
- test mat.
- Basis for effect:
- other: reproduction
- Validity criteria fulfilled:
- yes
- Conclusions:
- A study with the registered substance following the OECD guidance 202 and GLP was performed. The EC50 after 48h of exposure was found to be 38 mg/l.
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
not specified
2. MODEL (incl. version number)
ECOSAR 2008
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS 93-15-2; c1(OC)c(OC)cc(CC=C)cc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint: short term aquatic toxicity
- Unambiguous algorithm: not specified
- Defined domain of applicability: not specified
- Appropriate measures of goodness-of-fit and robustness and predictivity: not specified
- Mechanistic interpretation: not specified
5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain: not specified
- Structural and mechanistic domains: not specified
- Similarity with analogues in the training set: not specified
6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]
As the prediction is the part of the same screening report, reported as a key study it supports its findings regarding the risk characterization as well as the classification and labelling. - Qualifier:
- no guideline available
- Principles of method if other than guideline:
- - Software tool(s) used including version:
not specified
- Model(s) used: ECOSAR 2008
- Model description: see field 'Justification for non-standard information'
- Justification of QSAR prediction: see field 'Justification for type of information' - GLP compliance:
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 11.17 mg/L
- Nominal / measured:
- estimated
- Basis for effect:
- not specified
- Validity criteria fulfilled:
- yes
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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 limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
Danish QSAR database
2. MODEL (incl. version number)
2017
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
c1(OC)c(OC)cc(CC=C)cc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint: Aquatic toxicity
- Unambiguous algorithm: not specified
- Defined domain of applicability: inside the applicability domain
- Appropriate measures of goodness-of-fit and robustness and predictivity: not specified
- Mechanistic interpretation: not specified
5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain: not specified
- Structural and mechanistic domains: not specified
- Similarity with analogues in the training set: not specified
- Other considerations (as appropriate): not specified
6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]
The results from the Danish QSAR database supports the risk characterization and classification and labelling that was demonstrated by the experimental results. - Qualifier:
- no guideline available
- Principles of method if other than guideline:
- - Software tool(s) used including version:
Danish QSAR database
- Model(s) used: 2017
- Model description: see field 'Justification for non-standard information'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' - Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 10.842 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: EPI ECOSAR
- Validity criteria fulfilled:
- yes
Referenceopen allclose all
Description of key information
A study with the registered substance following the OECD guidance 202 and GLP was performed by the Ministry of Environment in Japan. The EC50 after 48h of exposure was found to be 38 mg/l. Furthermore a QSAR analysis by the Canadian authorities shows similar results for the 48h EC50, using ECOSAR models the prediction is found to be 11.17 mg/L. Ultimately the Danish QSAR database showed similar results with values of 10.842 mg/L for the 48h EC50.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 38 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.
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