Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 202-409-1 | CAS number: 95-31-8
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2021
- 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
- Justification for type of information:
- QSAR calculation: detailed information see "any other information on materials and methods" and "any other information on results"
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-tert-butylbenzothiazole-2-sulphenamide
- EC Number:
- 202-409-1
- EC Name:
- N-tert-butylbenzothiazole-2-sulphenamide
- Cas Number:
- 95-31-8
- Molecular formula:
- C11H14N2S2
- IUPAC Name:
- N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
- Test material form:
- not specified
- Details on test material:
- - SMILES: n(c(c(s1)ccc2)c2)c1SNC(C)(C)C
- InChI: 1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3
- Empirical formula: C11H14N2S2
- Molecular mass: 238.4 g/mole
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.723
- Water (%):
- 72.7
- Soil (%):
- 13.2
- Sediment (%):
- 13.3
- Susp. sediment (%):
- 0.086
- Biota (%):
- 0.008
- Aerosol (%):
- 0.067
Any other information on results incl. tables
In the model N-tert-butylbenzothiazole-2-sulphenamide 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 N-tert-butylbenzothiazole-2-sulphenamide (TBBS) 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-tert-butylbenzothiazole-2-sulphenamide is water with 72.7 %, followed by sediment (13.3%) and soil (13.2%).
- Executive summary:
The distribution of N-tert-butylbenzothiazole-2-sulphenamide (TBBS) 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-tert-butylbenzothiazole-2-sulphenamide is water with 72.7 %, followed by sediment (13.3%) and soil (13.2%).
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.
