Registration Dossier
Registration Dossier
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EC number: 202-803-3 | CAS number: 99-94-5
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2005
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- 1. SOFTWARE BCFWIN v2.14, based on the measured log Kow of 2.44.
2. MODEL (incl. version number)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
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:
- Unambiguous algorithm:
- Defined domain of applicability:
- Appropriate measures of goodness-of-fit and robustness and predictivity:
- Mechanistic interpretation:
5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain:
- Structural and mechanistic domains:
- Similarity with analogues in the training set:
- Other considerations (as appropriate):
6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]
Data source
Reference
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- - Software tool(s) used including version:
- Model(s) used: BCFWIN v2.14 based on the measured log Kow of 2.44. - GLP compliance:
- no
Test material
- Reference substance name:
- p-toluic acid
- EC Number:
- 202-803-3
- EC Name:
- p-toluic acid
- Cas Number:
- 99-94-5
- Molecular formula:
- C8H8O2
- IUPAC Name:
- 4-methylbenzoic acid
- Test material form:
- solid: crystalline
Constituent 1
Results and discussion
Bioaccumulation factor
- Key result
- Type:
- BCF
- Value:
- 3.16
- Remarks on result:
- other: BCFWIN v2.14, based on the measured log Kow of 2.44
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The bioaccumulation factor was calculated using BCFWIN v2.14, based on the measured log Kow of 2.44 and was found to be 3.16.
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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