Registration Dossier
Registration Dossier
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EC number: 204-881-4 | CAS number: 128-37-0
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:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Data source
Reference
- Reference Type:
- other: (Q)SAR calculation
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPI Suite v4.11 (US EPA, 2012): Level III Fugacity Model
- Release year:
- 2 012
- Media:
- other: air, water, soil and sediment
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:
- 2,6-di-tert-butyl-4-methylphenol
Constituent 1
Study design
- Test substance input data:
- Molecular Wt: 220.36
Henry's LC : 0.00315 atm-m3/mole (calc VP/Wsol)
Vapor Press : 0.00825 mm Hg (1.1 Pa at 20 °C, meas.; Bayer Ag, 1996)
Melting Pt : 69.8 deg C (meas.; Chang & Maurey, 1985)
Log Kow : 5.1 (meas., 20 °C; Shell, 1983)
Soil Koc : 1.48e+004 (KOCWIN MCI method)
Half-lives are required for air, soil, sediment and water: calculated; see table below ("Any other information on materials and methods incl. tables")
Emission values: default values; see table below ("Any other information on materials and methods incl. tables")
Advection values: default values; see table below ("Any other information on materials and methods incl. tables")
Results and discussion
Percent distribution in media
- Air (%):
- 1.33
- Water (%):
- 8.53
- Soil (%):
- 82.9
- Sediment (%):
- 7.23
Applicant's summary and conclusion
- Conclusions:
- According to the results of the Mackay Level III model (EPI Suite v4.11), BHT will mainly distribute into the compartments soil (82.9%), water (8.5%), sediment (7.2%) and air (1.3%).
- Executive summary:
The environmental distribution of BHT was estimated using the Level III Fugacity model of EPI Suite v4.11. Besides the physico-chemical properties of BHT, the model also considers the releases to the different compartments, the degradability as well as advection values characterising the exchange between the compartments. Based on the model results, BHT will mainly distribute into the compartments soil (82.9%), water (8.5%), sediment (7.2%) and air (1.3%).
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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