Registration Dossier
Registration Dossier
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EC number: 202-411-2 | CAS number: 95-33-0
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- 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:
- study report
- Title:
- Unnamed
- Year:
- 2 021
- Report date:
- 2021
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 3.00 (2004).
- Release year:
- 2 004
- Media:
- other: air-biota-sediment(s)-soil-water-aerosol
Test material
- Reference substance name:
- N-cyclohexylbenzothiazole-2-sulfenamide
- EC Number:
- 202-411-2
- EC Name:
- N-cyclohexylbenzothiazole-2-sulfenamide
- Cas Number:
- 95-33-0
- Molecular formula:
- C13H16N2S2
- IUPAC Name:
- N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine
- Test material form:
- not specified
- Details on test material:
- SMILES: n(c(c(s1)ccc2)c2)c1SNC(CCCC3)C3
InChI: 1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.076
- Water (%):
- 5.89
- Soil (%):
- 46.6
- Sediment (%):
- 47.1
- Susp. sediment (%):
- 0.3
- Biota (%):
- 0.03
- Aerosol (%):
- 0.04
Any other information on results incl. tables
In the model N-cyclohexylbenzothiazole-2-sulphenamide (CBS) 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
- Executive summary:
The distribution of N-cyclohexylbenzothiazole-2-sulphenamide (CBS) in a "unit world" was calculated according to the Mackay fugacity model level I (Currenta, 2021) based on the physico-chemical properties. The main target compartment for N-cyclohexylbenzothiazole-2-sulphenamide (CBS) is sediment with 47.1 % and soil with 46.6%, followed by water with 5.89 %.
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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