Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Diss Factsheets
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: 202-411-2 | CAS number: 95-33-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- According to the OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method) a logPow of 5 was determined for N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine at pH 7 and 25°C (Currenta, 2010).
- Executive summary:
In an experimental study according to OECD TG 117 (HPLC Method) the partition coefficient of N-cyclohexylbenzothiazole-2-sulphenamide was examined.
The HPLC method enables partition coefficients to be estimated in the log Pow range between 0 and 6. This method, however, is not applicable to strong acids and bases, metal complexes, substances which react with the eluent, or surface-active agents. Therefore, The pKa value of the substance was calculated with the software ACD/pKa v 7.0 to determine the applicability of the method. As the calculated pKa is 2.16±0.30 the HPLC method can be applied in a buffered solution at pH 7.
The measured retention time for N-cyclohexylbenzothiazole-2-sulphenamide was compared to a calibration series of seven substances (Thiourea, Acetanilide, Acetophenone, 2,3-Dichloroaniline, Biphenyl, Phenanthrene and Triphenylamine) to yield the experimental logPOW (logKOW) of 5.0
Reference
In order to ensure a stable performance of the HPLC column, the column temperature was set to 40°C. The reference Pow-values in the OECD guideline presumably refer to 25°C. Using a calibration with these data lead to a Pow-value for the test item at the same temperature, independent from the temperature, at which the chromatographical determination itself had been performed. Therefore the Pow-value of the test item determined within this study also refers to 25 °C.
Description of key information
In an experimental study according to OECD TG 117 (HPLC Method) the partition coefficient of N-cyclohexylbenzothiazole-2-sulphenamide was examined.
The HPLC method enables partition coefficients to be estimated in the log Pow range between 0 and 6. This method, however, is not applicable to strong acids and bases, metal complexes, substances which react with the eluent, or surface-active agents. Therefore, The pKa value of the substance was calculated with the software ACD/pKa v 7.0 to determine the applicability of the method. As the calculated pKa is 2.16±0.30 the HPLC method can be applied in a buffered solution at pH 7.
The measured retention time for N-cyclohexylbenzothiazole-2-sulphenamide was compared to a calibration series of seven substances (Thiourea, Acetanilide, Acetophenone, 2,3-Dichloroaniline, Biphenyl, Phenanthrene and Triphenylamine) to yield the experimental logPOW (logKOW) of 5.0
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5
- at the temperature of:
- 25 °C
Additional information
5 mins shaking used in the test of Monsanto (1980) is too short to support sufficient equilibration. However longer equilibration time is not prefered either because CBS is considered as unstable in water with a hydrolysis half-life of 13.4 hours at 20 °C and pH 7 (Currenta 2022). Therefore shaking method is not a suitable system to test the partitioning coefficient of CBS. The determined logPow of 5 (OECD Guideline 117, HPLC method) is used instead as key study (Currenta 2010).
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.