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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 279-505-5 | CAS number: 80584-91-4
- 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:
- other: well documented GLP based study according to OECD guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 0.94
- Temp.:
- 20 °C
- pH:
- 2
- Remarks on result:
- other: logPow was in between 0.94 +/- 0.01
- Details on results:
- The estimated partition coefficient is an average from the 6 conducted measurements (6 vials). The individual results of each vial are presented in the following table.
- Conclusions:
- The partition coefficient (log Pow) of 6,6',6"-(1,3,5-triazyne-2,4,6-triyltriimino-trihexanoic acid is 0.94 at 20°C and at a pH of 2.
- Executive summary:
The partition coefficient (logPow) of 6,6',6"-(1,3,5-triazyne-2,4,6-triyltriimino-trihexanoic acid (TC) was determined according to the OECD Guideline 107 (Partition Coefficient (n-octanol / water) using the Shake Flask Method. The test item was dissolved in 1-octanol and the test was conducted at a pH of 2 due to the pKa of TC of about 3.9. Overall, six replicates were performed. The concentration of the test item was determined by HPLC. The calculated logPow of TC was 0.94 (20°C, pH 2).
Reference
The table summarises the results of all 6 individual measurements.
vial number |
1 |
2 |
3 |
4 |
5 |
6 |
Volume 1-octanol phase/volume of water phase |
1:1 |
1:2 |
2:1 |
|||
Pow= C1-octanol/Cwater |
8.61 |
8.47 |
7.50 |
10.01 |
8.20 |
8.74 |
Average Pow+ standard deviation |
8.54±0.10 |
8.76±1.77 |
8.47±0.838 |
|||
Average Pow+ standard deviation |
8.59±0.15 |
|||||
log Pow= log(C1-octanol/Cwater) |
0.94 |
0.93 |
0.88 |
1.00 |
0.91 |
0.94 |
Average log Pow+ standard deviation |
0.94±0.01 |
0.94±0.08 |
0.93±0.02 |
|||
Average log Pow+ standard deviation |
0.94±0.01 |
Description of key information
The partition coefficient (logPow) of 6,6',6"-(1,3,5-triazyne-2,4,6-triyltriimino-trihexanoic acid (TC) was determined according to the OECD Guideline 107 (Partition Coefficient (n-octanol / water) using the Shake Flask Method. The test item was dissolved in 1 -octanol and the test was conducted at a pH of 2 due to the pKa of TC of about 3.9. Overall, six replicates were performed. The concentration of the test item was determined by HPLC. The calculated logPow of TC was 0.94 (20°C, pH 2).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.94
- at the temperature of:
- 20 °C
Additional information
at pH 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.