Registration Dossier
Registration Dossier
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EC number: 204-327-1 | CAS number: 119-47-1
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2014
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Fugacity-Based Environmental Equilibrium Partitioning Model; Environmetal Modelling Centre; Trent University Peterborough, Ontario, Canada. Version 2.11 (1999).
- Release year:
- 1 999
- Media:
- other: air-biota-sediment(s)-soil-water-aerosol
Test material
- Reference substance name:
- 6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol
- EC Number:
- 204-327-1
- EC Name:
- 6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol
- Cas Number:
- 119-47-1
- Molecular formula:
- C23H32O2
- IUPAC Name:
- 2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
- Reference substance name:
- 6.6`-Di-tert.-butyl-2.2`-methylenedi-p-cresol
- IUPAC Name:
- 6.6`-Di-tert.-butyl-2.2`-methylenedi-p-cresol
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- results related to pure substance
Constituent 1
Constituent 2
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 0.35
- Soil (%):
- 49.4
- Sediment (%):
- 49.9
- Susp. sediment (%):
- 0.32
- Biota (%):
- 0.031
- Aerosol (%):
- 0.001
Any other information on results incl. tables
In the model 6.6`-Di-tert.-butyl-2.2`-methylenedi-p-cresol is treated as a type 1 chemical, i.e. the chemical partitions into all environmental media. Estimation is carried at an environmental temperature of 25 °C.
Applicant's summary and conclusion
- Conclusions:
- The distribution of 6.6`-Di-tert.-butyl-2.2`-methylenedi-p-cresol in the environment was calculated according to the Mackay fugacity model level I based on the physico-chemical properties. The main target compartment for 6.6`-Di-tert.-butyl-2.2`-methylenedi-p-cresol is sediment with 49.9 %, followed by soil with 49.4 %, water with 0.35 % and suspended sediment with 0.32 %.
- Executive summary:
The distribution of 6.6`-Di-tert.-butyl-2.2`-methylenedi-p-cresol in the environment was calculated according to the Mackay fugacity model level I based on the physico-chemical properties. The main target compartment for 6.6`-Di-tert.-butyl-2.2`-methylenedi-p-cresol is sediment with 49.9 %, followed by soil with 49.4 %, water with 0.35 % and suspended sediment with 0.32 %.
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