Registration Dossier
Registration Dossier
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EC number: 938-094-9 | CAS number: -
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Regulatory accepted QSAR method for organic chemicals properties assessment.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- level III fugacity model (EPI Suit v.4.00)
- Release year:
- 2 009
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 2,6-di-tert-butyl-p-cresol
- EC Number:
- 204-881-4
- EC Name:
- 2,6-di-tert-butyl-p-cresol
- Cas Number:
- 128-37-0
- Molecular formula:
- C15H24O
- IUPAC Name:
- Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-
- Reference substance name:
- 2,6-di-tert-butylphenol
- EC Number:
- 204-884-0
- EC Name:
- 2,6-di-tert-butylphenol
- Cas Number:
- 128-39-2
- Molecular formula:
- C14H22O
- IUPAC Name:
- Phenol, 2,6-bis(1,1-dimethylethyl)-
- Reference substance name:
- 4,6-di-tert-butyl-o-cresol
- EC Number:
- 210-485-2
- EC Name:
- 4,6-di-tert-butyl-o-cresol
- Cas Number:
- 616-55-7
- Molecular formula:
- C15H24O
- IUPAC Name:
- Phenol, 2,4-bis(1,1-dimethylethyl)-6-methyl-
- Details on test material:
- data for components
Constituent 1
Constituent 2
Constituent 3
Results and discussion
Any other information on results incl. tables
Overview of distribution modelling data on Reaction mass of 2,6-di-tert-butyl-p-cresol, 4,6-di-tert-butyl-o-cresol and 2,6-di-tert-butylphenol components
Method
|
Components |
Results: percent distribution in media: |
Remarks |
Reference |
Media: air-water-soil sediment
Calculation according to Mackay, Level III
Calculation programme: level III fugacity model (EPI Suite v.4.00) |
2,6-di-tert-butyl-p-cresol (CAS No. 128-37-0) |
Air (%): 0.463 Water (%): 14.7 Soil (%): 72.3 Sediment (%): 12.5 |
2 (reliable with restrictions)
key study
(Q)SAR |
US EPA (EPI Suite v.4.00) |
2,6-di-tert-butylphenol (CAS No. 128-39-2) |
Air (%): 0.206 Water (%): 15.8 Soil (%): 75.6 Sediment (%): 8.38 |
|||
4,6-di-tert-butyl-o-cresol (CAS No. 616-55-7) |
Air (%): 0.464 Water (%): 14.8 Soil (%): 72.5 Sediment (%): 12.2 |
Applicant's summary and conclusion
- Conclusions:
- The data on environmental distribution of Reaction mass of 2,6-di-tert-butyl-p-cresol, 4,6-di-tert-butyl-o-cresol and 2,6-di-tert-butylphenol obtained from the level III fugacity model confirms that this substance does not degrade fast and depending on various emission scenarios, will be in water, soil and sediment.
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