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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 241-749-5 | CAS number: 17766-26-6
- 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)
Description of key information
log D = 0.73 at 25 °C, pH4
log D = 0.01 at 25 °C, pH7
log D = -1.55 at 25 °C, pH9
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.01
- at the temperature of:
- 25 °C
Additional information
For the substance TMT the partition coefficient was estimated with ACD/LogD Suite Program for different pH values. Calculations were carried out for the keto and enolic forms of the undissociated organic acid and the anionic and cationic organic components. Prior to this calculation the pKa values for all dissociation/ionization steps were calculated. The real partition coefficient Log D depends on the ratio between the concentrations of the different ionic species. Log D was determined as 0.73, 0.01 and -1.55 for pH 4, 7 and 9 respectively.
The Log Powvalue for the neutral, undissociated keto form (1,3,5-triazine-2,4,6-trithione) is calculated as 0.73. The neutral form is only existent below pH = 5. With increasing pH values the partition coefficients (Log D) decreases sharply to a value below -2 in the strong alkaline region as consequence of the stepwise dissociation/depronotation of the substance. Also in the strong acid range below pH = 1 the partition coefficient is decreasing as consequence of beginning protonation of the amino groups.
The Log Pow value of the neutral, undissociated enolic form (1,3,5-triazine-2,4,6-trithiol), which is considered as less relevant, is calculated as 2. But in contrast to the keto form, the neutral enolic form does not exist in the whole pH range from 0 to 14. At all pH values the (hypothetical) enolic form exists in the ionic form with significantly negative Log D values. For this reason, it seems reasonable, to use the values of the keto form for exposure assessments to gain a reliable “worst case” scenario.
In another QSAR study (KOWWIN) the log Pow of the triply charged form was determined to be -4.4 at 25 °C. This is in agreement with the results of the first study but is environmentally not relevant because this forms exists only for pH > 10 (pKa = 10.4).
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.