Registration Dossier
Registration Dossier
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EC number: 209-968-0 | CAS number: 599-64-4
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Calculated value.
- Justification for type of information:
- Reliable QSAR model used for prediction of distribution
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 001
- Report date:
- 2001
Materials and methods
- Model:
- calculation according to Mackay, Level III
Test material
- Reference substance name:
- 4-(α,α-dimethylbenzyl)phenol
- EC Number:
- 209-968-0
- EC Name:
- 4-(α,α-dimethylbenzyl)phenol
- Cas Number:
- 599-64-4
- Molecular formula:
- C15H16O
- IUPAC Name:
- 4-(α,α-dimethylbenzyl)phenol
- Reference substance name:
- 290-968-0
- IUPAC Name:
- 290-968-0
Constituent 1
Constituent 2
Study design
- Test substance input data:
- Default values were assumed for environmental compartment descriptions, dimensions, and properties, advective and dispersive properties. Chemical-specific input parameters were: melting point averaging 75 degrees C, vapor pressure of 0.000169 Pa, and aqueous solubility of 18 mg/L (22 degrees C). Using models, additional parameters were estimated. They include a log Kow value of 4.12, an atmospheric half-life of 5.74 hours, water and soil biodegradation half-lives of 900 hours, and a sediment half-life of 3600 hours. These values were all used in the distribution modeling.
Results and discussion
Percent distribution in media
- Air (%):
- 0.17
- Water (%):
- 23.1
- Soil (%):
- 72.6
- Sediment (%):
- 4.15
Applicant's summary and conclusion
- Conclusions:
- The percent distribution in media were as follows: Air - 0.17%; Water - 23.1%; Soil - 72.6%; and Sediment - 4.15%.
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