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EC number: 407-430-1 | CAS number: 3741-80-8 CP22595; SANTOCURE TBS1
- 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
Dermal absorption
Administrative data
- Endpoint:
- dermal absorption, other
- Remarks:
- Estimated by calculation
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Calculation was based on 2 methods, and resulted in similar results.
Data source
Reference
- Reference Type:
- other: internal document
- Title:
- No information
Materials and methods
Test material
- Reference substance name:
- N-(1,1-dimethylethyl)bis(2-benzothiazolesulfen)amide
- EC Number:
- 407-430-1
- EC Name:
- N-(1,1-dimethylethyl)bis(2-benzothiazolesulfen)amide
- Cas Number:
- 3741-80-8
- Molecular formula:
- C18H17N3S4
- IUPAC Name:
- bis(1,3-benzothiazol-2-ylsulfanyl)(tert-butyl)amine
Constituent 1
Results and discussion
Applicant's summary and conclusion
- Executive summary:
In the CSR of 2011, a basic toxicokinetics assessment, including dermal absorption, was performed for N-(1,1-dimethylethyl)bis(2 -benzothiazolesulfen)amide (TBSI ) according to REACH guidance on basic toxicokinetics requirements. Meanwhile the REACH guidance was updated (REACH, 2012). The qualitative assessment on toxicokinetics was repeated based on latest guidance.
In addition, upon request from the Belgian Competent Authorities, a theoretical quantitative assessment of dermal absorption was performed based on available state-of-the art tools and literature basis for calculation.
Initial assessment of dermal absorption
The initial assessment of dermal uptake of TBSI was mainly determined by the molecular weight, log Pow and water solubility of the substance:
- The molecular weight of TBSI (404 g/mol) enables dermal uptake. Dermal uptake is less favourable at higher molecular weights (> 500 g/mol).
- The Log Pow of TBSI is ca. 6.7. According to the above noted source, the dermal uptake is optimal when the Log Pow is 2 -3. At Log Pow > 4, the substance will be taken up into the stratum corneum, but further migration into the epidermis is slow. At Log Pow > 6, both the uptake in the stratum corneum and the migration into the epidermis are considered to be slow.
- The water solubility of TBSI is ca. 0,002 mg/L. Such a low water solubility results in a slow partitioning from the stratum corneum into the epidermis. The uptake of TBSI via the dermal exposure route will therefore be slow, and systemic exposure will be limited.
The qualitative assessment can be confirmed according to most recent ECHA Guidance on information requirements and chemical safety assessment (Chapter R.7c: Endpoint specific guidance, November 2012 Version 1.1), which confirms that most arguments are not in favour of dermal absorption. The substance is a solid, and its low water solubility prevents the substance to partition from the stratum corneum into the epidermis. In addition the high log Pow >4 limits the transfer rate between stratum corneum and epidermis. The substance does not have surfactant properties, and no irritation, sensitisation or acute dermal toxicity were detected.
A further quantitative assessment was performed by means of Dermwin application, based on US EPA risk assessment for dermal absorption, resulting in following results for TBSI:
- Dermal permeability coefficient (Kp) of 0.241 cm/hr.
- Dermally Absorbed Dose (DAD) of 0. 416 µg/kg/day for a life time exposure.
- However, the latter takes into account full dermal exposure (>17500 cm2 in adults), whereas for chemicals mostly only default surface areas are used, e.g. hands (857,5 cm2, or ca. 5% of total body surface; see Table 1). This leads to a realistic worst case exposure of 0.021 µg/kg bw/day systemic exposure to TBSI by dermal route.
However as the correlation of the DermWin method was limited (r2 = 0.66) , a second method was applied, starting from a similar equation for but applying a correction factor for high lipophilicity (Kroes et al., 2007). By applying this correction, the method is considered to be more specific and reliable. Results were as follows:
- Corrected Permeability coefficient (Kp) = 0.097 cm/hr for TBSI.
- From this value, Maximum flux (Jmax) was calculated to be 0. 00017 µg/cm2/h for TBSI.
- Maximum potential absorption (Qabs) for hands (857,5 cm2 for 8h) was calculated to be 1.17 µg/adult/day or 0.019 µg/kg bw/day (assuming 60 kg body weight).
Reference: Kroes, R. et al. Food and Chemical Toxicology 45 (2007) 2533-2562, Application of the threshold of toxicological concern (TTC) to the safety evaluation of cosmetic ingredients.
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