Registration Dossier
Registration Dossier
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EC number: 941-570-9 | CAS number: -
Long-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: A QSAR model, ECOSAR was used to estimate long-term toxicity to aquatic invertebrates
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- The QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program was used to estimate the long-term toxicity to aquatic invertebrates. The following measured values were used in the model: log Kow = 4.0, water solubility = 530 mg/L and melting point = -0.9 C.
Test material
- Reference substance name:
- 2-(1,1-dimethylpropyl)phenol
- EC Number:
- 221-916-9
- EC Name:
- 2-(1,1-dimethylpropyl)phenol
- Cas Number:
- 3279-27-4
- IUPAC Name:
- 2-(1,1-dimethylpropyl)phenol
- Reference substance name:
- o-tert-amylphenol
- IUPAC Name:
- o-tert-amylphenol
- Details on test material:
- SMILES notation used: Oc1ccccc1C(CC)(C)C
Constituent 1
Constituent 2
Test organisms
- Test organisms (species):
- Daphnia sp.
Study design
- Water media type:
- freshwater
Results and discussion
Effect concentrations
- Duration:
- 21 d
- Dose descriptor:
- other: chronic value (geometric mean of NOEC and LOEC)
- Effect conc.:
- 0.12 mg/L
- Details on results:
- As per REACH Guidance Ch 10, a NOEC can be calculated from the chronic value. Therefore, the calculated NOEC = 0.085 mg/L and will be used in the assessment.
Applicant's summary and conclusion
- Conclusions:
- Using a reliable QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program was used to estimate the 21d ChV for daphnids to be 0.120 mg/L.
- Executive summary:
A reliable QSAR model (Ecological Structure-Activity Relationship (ECOSAR) version 1.11) was used to predict the chronic aquatic toxicity of o-tert-Amylphenol (otAP) to daphnids. The 21 day chronic value (the geometric mean of the NOEC and LOEC) were 0.120 mg/L and 0.240 mg/L for the phenols class and neutral organic class, respectively. Since o-tert-amylphenol is in the class of phenols, the result for the phenol class will be used as key for long-term toxicity to aquatic invertebrates. As per REACH Guidance Ch 10, a NOEC can be calculated from the chronic value. Therefore, the calculated NOEC = 0.085 mg/L and will be used in the assessment.
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