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Reaction mass of 1H-Benzotriazole-1-methanamine, N,N-bis(2-ethylhexyl)-6-methyl- and 2H-Benzotriazole-2-methanamine, N,N-bis(2-ethylhexyl)-5-methyl- and N,N-bis(2-ethylhexyl)-4-methyl-1H-benzotriazole-1-methylamine and 2H-Benzotriazole-2-methanamine, N,N-bis(2-ethylhexyl)-4-methyl- and N,N-bis(2-ethylhexyl)-5-methyl-1H-benzotriazole-1-methylamine
EC number: 939-700-4 | CAS number: -
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- only DRAFT report available, the final report is expected later.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Principles of method if other than guideline:
- Determination of the water solubility of test was only possible using NMR which leads to rather high LOQ. Other techniques as HPLC and mass spectrometry were technically not possible.
Different HPLC methods were tried as quantitation methods. The rapid degradation of the test item when applying chromatograph-ic conditions prevented the quantitation using HPLC.
Additionally, detection with high resolution mass spectrometry (HRMS) was performed. By direct injection, test item detected, but a quantitative statement cannot be concluded from this.
Overall, the determination was complicated further by the hydrolytic instability of the test item and the low water solubility.
For further details of the instability of the test item and the behaviour in water see GLP-study 20L00223 (hydrolysis as a function of the pH), from Competence Center Analytics, BASF SE, D-67056 Ludwigshafen. - Type of method:
- other: NMR method
- Key result
- Water solubility:
- < 0.2 mg/L
- Conc. based on:
- test mat. (total fraction)
- Incubation duration:
- 4 h
- Temp.:
- 23 °C
- Remarks on result:
- other: below the LOD
- Details on results:
- Determination of the water solubility using NMR
Method: The determination of the test item in water phases was performed using NMR.
Limit of detection (LOD): 29.97 mg of the test item were weighed into a 5 mL volumetric flask, filled with [D6]-acetone and diluted.
With a signal-to-noise-ratio of 3, the LOD was determined to be 0.2 mg/L. - Conclusions:
- The water solubility was determined to be below the LOD which is 0.2 mg/L
Reference
The results of the flask method with stirring times of 24 h-72 h (see
additional information) show a broad range of values without clear
tendencies. This led to the assumption that the test item is unstable.
Hydrolysis experiments which confirm the instability in water were
performed using NMR (see results under GLP-study no. 20L00223
(hydrolysis as a function of the pH), which refers to the endpoint
5.1.2.)
The hydrolysis mechanism described in literature4 could be con-firmed
and TTZ was found as a hydrolysis product of the test item.
The corresponding masses were detected with HRMS as well.
The flask method with shortened stirring times was performed. The test
item and TTZ were used for calibration.
Due to the same retention time of the test item and of TTZ (see Figure 4
on page 10 and Figure 5 on page 10) and the comparable UV-spectra of the
peaks (see Figure 6 on page 11 and Figure 7 on page 11), it is most
likely, that the chromato-graphic conditions already led to a
degradation of the test item to TTZ. The test item and TTZ were analysed
using normal phase chromatography (see next chapter). In hope that
exclusion of water from the eluent might allow the chromatographic
analysis of test item without hydrolysis caused by water from the eluent.
Description of key information
The solubility is below the LOD which is 0.2 mg/L.
Key value for chemical safety assessment
Additional information
Determination of the water solubility of test item was only possible
using NMR which leads to rather high LOQ. Other tech-niques as HPLC and
mass spectrometry were technically not possible.
Different HPLC methods were tried as quantitation methods. The rapid
degradation of the test item when applying chromatograph-ic conditions
prevented the quantitation using HPLC.
Additionally, detection with high resolution mass spectrometry (HRMS)
was performed. By direct injection, test item was detected, but a
quantitative statement cannot be concluded from this.
Overall, the determination was complicated further by the hydrolytic
instability of the test item and the low water solubility.
For further details of the instability of the test item and the
behaviour in water see GLP-study 20L00223 (hydrolysis as a function of
the pH), corresponding to endpoint 5.1.2.
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.
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