Registration Dossier
Registration Dossier
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EC number: 406-370-3 | CAS number: 58890-25-8 MDI/CHA
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The QSAR is performed according to the Guideline on Information Requirements and Chemical Safety Assessment, Chapter R.7c and using EPIWEB 4.1 of the US EPA website.
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- other: QSAR calculation
- Title:
- US EPA Estimation Programs Interface Suite for Microsoft Windows, v4.1; US EPA, Washington DC, USA
- Author:
- US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC)
- Year:
- 2 011
- Bibliographic source:
- Freely available from US EPA website
Materials and methods
- GLP compliance:
- no
Test material
- Reference substance name:
- 3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea
- EC Number:
- 406-370-3
- EC Name:
- 3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea
- Cas Number:
- 58890-25-8
- Molecular formula:
- C27 H36 N4 O2
- IUPAC Name:
- 1-cyclohexyl-3-[4-({4-[(cyclohexylcarbamoyl)amino]phenyl}methyl)phenyl]urea
Constituent 1
Results and discussion
Bioaccumulation factoropen allclose all
- Type:
- BCF
- Value:
- 16 920 L/kg
- Basis:
- other: regression based method
- Remarks on result:
- other: BCFBAF v3.01
- Type:
- BCF
- Value:
- 17.6 L/kg
- Basis:
- other: Arnot Gobas method (upper trophic)
- Remarks on result:
- other: BCFBAF v3.01
Any other information on results incl. tables
The Arnot-Gobas BCF and BAF model(Arnot and Gobas, 2003)
The Arnot-Gobas model includes mechanistic processes for bioconcentration and bioaccumulation such as chemical uptake from the water at the gill surface (BCFs and BAFs) and the diet (BAFs only), and chemical elimination at the gill surface, fecal egestion, growth dilution and metabolic biotransformation (Arnot and Gobas 2003). Other processes included in the calculations are bioavailability in the water column (only the freely dissolved fraction can bioconcentrate) and absorption efficiencies at the gill and in the gastrointestinal tract. |
Applicant's summary and conclusion
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
